FAKULTÄT FÜR CHEMIE UND BIOCHEMIE

Master of Science Chemistry (M. Sc. Chemistry)

Modulhandbuch für den Master-Studiengang Chemie

Studienplan für den Master-Studiengang Chemie

Der folgende Studienplan gilt in Verbindung mit der Prüfungsordnung des Master-
Studiengangs der Fakultät für Chemie und Biochemie.
(1) Die Gliederung des Studienplans beruht auf dem Studienjahr mit Studienbeginn im
Wintersemester.
(2) Es wird empfohlen, die Lehrveranstaltungen in der angegebenen Reihenfolge zu
besuchen. Für einzelne Praktika ist die erfolgreiche Teilnahme an vorhergehenden Lehr-
veranstaltungen entsprechend Abs. 3 erforderlich.
(3) Die Zulassung zu den nachstehend genannten Lehrveranstaltungen ist abhängig von
dem Vorliegen eines Leistungsnachweises für die im Ausbildungsgang vorhergehenden
Lehrveranstaltungen (Vorleistungen) gemäß folgender Zusammenstellung:
Lehrveranstaltung Vorleistung
Spezialisierungspraktikum “Practical Science and
Communication“ und
Vertiefungspraktika I - III
Master-Arbeit Spezialisierungspraktikum

(4) Kennzeichnung der Lehrveranstaltungen

Com = Compulsory Module
Elec = Elective Module
CP = Credit Points für den jeweiligen Leistungsnachweis
(5) Die Vertiefungspraktika I bis III müssen jeweils aus unterschiedlichen Lehr-
veranstaltungen stammen.
(6) Wahlfreiheit. Wahlpflichtmodule und Vertiefungspraktika können frei aus dem
gesamten Lehrangebot der Fakultät für Chemie und Biochemie für den Master-Studien-
gang gewählt werden. Die Wahl vergleichbarer Module aus anderen Fakultäten kann
gegebenenfalls auf Antrag durch den Prüfungsausschuss genehmigt werden.

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Sem. Module L E/S Pr Type CP

1. (WS) Physical Chemistry V 2 1 - Com 5
Practical Science and - 2 6 Com 6
Communication
Elective Lecture I 2 1 - Elec 5
Elective Lecture II 2 1 - Elec 5
In-Depth Practical I - - 9 Elec 8
26 HpW Total: 1st Semester 6 5 15 29
2.(SS) Elective Lecture III 2 1 - Elec 5
Organic Chemistry IV 2 1 - Com 5
Inorganic Chemistry IV 2 1 - Com 5
In-Depth Practical II - - 9 Elec 8
In-Depth Practical III - - 9 Elec 8
30 HpW Total: 2nd Semester 8 4 18 31
3.(WS) Elective Lecture IV 2 1 - Elec 5
Elective Lecture V 2 1 - Elec 5
Elective Lecture VI 2 1 - Elec 5
Focal Point Practical - - 15 Com 15
21 HpW Total: 3rd Semester 6 3 15 30
4. (SS) Master Thesis Com 30
77 HpW Total: 1. – 4. Sem. 18 11 48 120

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Modulliste Masterstudiengang Chemie

Lfd. Nr. Module Masterstudiengang Chemie Seite

1 Pflichtveranstaltungen
1.1 Inorganic Chemistry IV 6
1.2 Organic Chemistry IV 7
1.3 Physical Chemistry V: Molecular Reaction Dynamics 8
1.4 Introduction to Scientific Communication (ITSC) 9
Master Wahlvorlesungen
2 Analytische Chemie
2.1 Advanced Electrochemistry: From Fundamentals to Applications I 10
2.2 Advanced Electrochemistry: From Fundamentals to Applications II 11
2.3 Research practical in the focal point programme 12
2.4 In-depth Practical "Biointerfaces" 13
2.5 In-depth Practical "Advanced Electrochemistry – From Fundamental to Applications" 14
2.6 In-depth Practical: Micro-Electrochemistry & Scanning Electrochemical Microscopy 15
2.7 In-depth Practical "Sensors and Bioanalytics" 16
2.8 In-depth Practical "Nanomaterials – Synthesis, Characterization and Application" 17
2.9 In-depth Practical: Electrocatalysis and energy conversion 18

3 Anorganische Chemie
3.1 Bioinorganic Chemistry 19
3.2 Crystal Engineering – Chemistry beyond the molecule 20
3.3 Medicinal Inorganic Chemistry 21
3.4 Main Group Chemistry: From Curiosities to Catalysis 22
3.5 Green and Sustainable Chemistry 23
3.6 In-depth Practical: Green and Sustainable Chemistry 24
3.7 In-depth Practical: Computational Chemistry in Inorganic Chemistry 25
3.8 In-depth practical: Analytical Methods in Inorganic Chemistry 26
3.9 In-depth practical: Bioinorganic Chemistry 27
3.10 In-depth Practical: Molecular Chemistry and Synthesis 28
3.11 Research Practical: Inorganic Chemistry 29

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Lfd. Nr. Module Masterstudiengang Chemie (Fortsetzung) Seite

4 Biochemie
4.1 Introduction to Bioinformatics 30
4.2 Biochemie III (Biochemistry III) 32
4.3 Biochemistry IV - Biochemistry of Membrane Receptors 33
4.4 Modular Advanced Practicals in the Focal Point Programme 35
4.5 Research Practical in the Focal Point Programme 36

5 Funktionale Materialien
Materials Synthesis: Fundamentals and Applications of Modern Processing Routes for
5.1 37
Creating Functional Materials
5.2 Introduction to Chemistry of Materials 38
3.8 In-depth practical: Analytical Methods in Inorganic Chemistry 26
5.3 In-depth practical: Solid State and Material Synthesis 39
5.4 Research Practical Functional Materials 40

6 Organische und Bioorganische Chemie

6.1 Enzyme Catalysis in Organic Chemistry: White Biotechnology 41
6.2 Metabolomics for the discovery of new natural products and biomarkers 42
6.3 Organofluorine Chemistry 43
6.4 Supramolecular Chemistry 44
6.5 Organic Synthesis I: Stoechiometric Organometallics 45
6.6 Organic Synthesis II: Catalytic Organometallics 46
6.7 Organic Synthesis III: Designing Organic Syntheses 47
6.8 Concepts of Molecular Chemistry I: Physical Organic Chemistry 48
6.9 Modern Organotransition metal catalysis 49
6.10 In-depth Practical: Organocatalysis 50
6.11 In-depth Practical: Supramolecular Chemistry 51
6.12 In-depth Practical: Metal-Organic Chemical Synthesis 52
6.13 In-depth Practical: "Semi-synthesis of Natural Products" 53
6.14 In-depth Practical: Natural Product Chemistry and Biochemistry 54
6.15 In-Depth Practical: "Fermentation of Natural Products" 55
6.16 In depth practical „Organotransition metal catalysis“ 56

7 Physikalische Chemie
7.1 Biophysical Chemistry I 57
7.2 Biophysical Chemistry II 58
7.3 Concepts of Spectroscopy I 59
7.4 Concepts of Spectroscopy II 60
7.5 Compact course “Laser and Optics” 61
7.6 Compact Course "Scanning Probe Microscopy" 62
7.7 In-depth Practical: Laser spectroscopy in clusters, liquids and interfaces 63
7.8 In-depth Practical: Nanoscale surface characterization 64
7.9 In-depth Practical: Fluorescence microscopy and spectroscopy 65
7.10 In-depth Practical: Nanomaterials and Biointerfaces 66
7.11 In-depth practical: Chemical Microscopy of Surfaces and Biomaterials 67
7.12 Research Practical in the Focal Point Programme “Physical Chemistry 68

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Lfd. Nr. Module Masterstudiengang Chemie (Fortsetzung) Seite

8 Technische Chemie
8.1 Heterogeneous Catalysis 69
8.2 Industrial Chemistry II: Chemical Reaction Engineering 70
8.3 Modern Microkinetics 71
8.4 Processes in Chemical Production - Past, Present and Future 72
8.5 In-depth Practical: "Characterization of Heterogenous Catalysts" 73
8.6 In-depth Practical: Industrial Catalysis 74
8.7 In-depth Practical: Reaction Engineering of Heterogeneously Catalyzed Reactions 75

9 Theoretische Chemie
9.1 Computational Chemistry I: Structure and Dynamics of Molecules 76
9.2 Computational Chemistry II: Quantitative Structure-Activity Relations in Drug Design 77
9.3 Theoretical Chemistry II: Dynamics and Simulation 78
9.4 Biomolecular Simulation: Understanding Experiments at the Molecular Level 79
9.5 Theoretical Chemistry III: Electronic and Molecular Structure Theory (Chemistry) 80
9.6 Atomistic Simulations with Machine Learning 81
9.7 Theoretical Spectroscopy (Chemistry) 82
9.8 Industrial Computational Chemistry I: Fundamentals 83
9.9 Industrial Computational Chemistry II: Applications in Process Development 84
9.10 Scientific Programming Methods for Chemists 85
9.11 Electronic and Molecular Structure Theory 86
9.12 In-depth Practical in Theoretical Chemistry, Part I, II, III 87
9.13 Focal-point Research Practical in Theoretical Chemistry 89
10 Crossdisciplinary Lectures and Practicals
10.1 Introduction to Computational Chemistry 90
9.8 Industrial Computational Chemistry I: Fundamentals 83
3.7 In-depth Practical: Computational Chemistry in Inorganic Chemistry 25
5.2 Introduction to Chemistry of Materials 38
7.2 Biophysical Chemistry II 58
7.6 Compact Course: "Scanning Probe Microscopy" 62
10.2 From top-level science to top-level business 91
7.5 Compact Course: "Laser and Optics" 61
11 Masterarbeit 92

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Pflichtveranstaltungen

Inorganic Chemistry IV
Module Credits Workload Term Frequency Duration
1.1 5 CP 150 h 2. Sem. Each SuS 1 Semester
Courses Contact hours Self-Study Group size
Inorganic Chemistry IV a) 2SWS/30 h All students of the
b) 1 SWS/15 h 105 h respective
a) Lecture
semester, ca. 50
b) Exercise
Prerequisites
Admission to the Master Course Program; basic knowledge general in synthetic chemistry (organic
and inorganic chemistry) and the structure of molecular compounds, complexes (molecular
orbitals, Lewis structures) is recommended
Learning outcomes
After the successful completion of the module
 Students have acquired advanced knowledge of the interpretation of the electronic
structure, properties and reactivities of organometallic, inorganic molecular and solid
state compounds and systems of higher and lower dimensionality.
 Students will be able to apply their knowledge independently on current, and
intellectually demanding research problems in modern inorganic chemistry
 Students will be able to analyze research questions and develop solutions and solution
strategies.
Content
The module focusses on the reactivity, properties and electronic structure of organometallic,
inorganic and bioinorganic compounds. Content may include one or several of the following topics:
 Concepts of organometallic chemistry: Stabilization of reactive intermediates, control of
electronic and steric properties of ligands, applications in homogenous catalysis, trends in
the periodic table
 Concepts of bioinorganic chemistry and medicinal chemistry
 Concepts in inorganic solid state and materials chemistry
 Application of spectroscopic methods for the characterization of inorganic solid state
materials, molecular compounds and complexes and the elucidation of reaction
mechanisms; computational methods in structure elucidation and mechanistic studies
 Modern trends in organometallic, inorganic and/or bioinorganic chemistry

Teaching methods
Lecture with exercises und accompanying e-learning moduls
Mode of assessment
end-of-term written exam
Requirement for the award of credit points
Passing the written examination
Module applicability
Chemistry (Master), IMOS
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Prof. Dr. Däschlein-Gessner
V. Däschlein-Gessner, N. Metzler-Nolte, A. Devi and lecturers from inorganic chemistry
Further information
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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Organic Chemistry IV
Module Credits Workload Term Frequency Duration
1.2 5 CP 150 h 2. Sem. nur SS 1 Semester
Courses Contact Self-Study Group size
a) lecture hours 100 h 60 Studierende
b) exercise 3+1 SWS
Prerequisites
-General knowledge of thermodynamics, statistical mechanics, and quantum mechanics.
Learning outcomes
 students aquire knowledge on the theory of advanced topics and concepts of organic
chemistry such as pericyclic reactions, heterocycles and supramolecular chemistry. In
addition links are drawn to theoretical, physical and spectroscopical aspects of these
concepts.
Content
 The concept of aromaticity; pericyclic reactions: Molecular orbitals and theoretical
background, electrocyclic reactions, sitmatropic reactions, cycloadditions, cheletropic
reactions.
 heterocycles: nomenclature, saturated heterocycles, aromatic heterocycles, natural
heterocycles and their role in biochemistry, synthesis of heterocycles
 fundamentals of supramolecular chemistry and molecular recognition
 organocatalysis
 natural compounds: sugars and carbohydrates

Teaching methods
a) lecture b) exercise
Mode of assessment
Written exam (120 min) at the end of the module
Requirement for the award of credit points
Passing the written exam
Module applicability
M. Sc. Chemistry
Weight of the mark for the final score
Module coordinator and lecturer(s) Prof. Dr. Lukas Gooßen, Prof. Dr. Stefan Huber, Dr. Wolf
Matthias Pankau, Dr. Dirk Grote
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Physical Chemistry V: Molecular Reaction Dynamics

Module Credits Workload Term Frequency Duration
1.3 5 CP 120 h 1. or 3. . Sem. nur WS 1 Semester
Courses Contact Self-Study Group size
a) lecture hours 75 h 20 Studierende
b) exercise 3 SWS

Prerequisites
-
Learning outcomes
 Students acquire a broad overview over experimental techniques and theoretical
approaches aiming at the determination and prediction of reaction rate coefficients in the
gas phase and in solution.
Content
 Reaction rate coefficients of uni- and bimolecular reactions in the gas phase and in solution;
Pressure dependence: Collisions, Lindemann-Hinshelwood mechanism, Master equation
approach; Temperature dependence: Arrhenius equation, Transition State Theory; Energy
dependence: RRK and RRKM theories, other Transition State Theory derivatives; Viscosity
dependence: Kramers theory; Time- and frequency-domain spectroscopic experiments:
molecular beam methods; femtosecond pump-probe laser spectroscopy.
Teaching methods
Lecture, exercise
Mode of assessment
Written exam (120 min) at the end of the module
Requirement for the award of credit points
Passing the written exam
Module applicability
M. Sc. Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
lecturers Physical Chemistry
Further information
The lectures are recorded to video and audio, and posted on the electronic Blackboard with
password protection as an e-learning module. The screencasts can also be used for inverted
classroom sessions.

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Introduction to Scientific Communication (ITSC)

Module Credits Workload Term Frequency Duration
1.4 6 CP 180 h 1. Sem. WiSe 2 Semester
Courses Contact Self-Study Group size
Introduction to Scientific Communication hours 120 h 60 students
1 SWS
Prerequisites
General knowledge in chemistry
Learning outcomes
The students gain skills in common scientific presentation formats using their own research
results from Bachelor theses and in-depth practicals
Content
Abstract writing. Students learn to write a short abstract on their own work, which is peer-
reviewed by other students of the course and subsequently revised.
Short communications. Students write a total of two short communications (2 pages) on their own
work, which is peer-reviewed by other students of the course and subsequently revised. After the
first round of reviews, an additional seminar on common mistakes during reviewing stages
further teaches good reviewing practices.
Oral presentations. Using own research results as topics, each student gives a 15 minutes oral
presentation which is reviewed by means of an evaluation sheet that the audience fills out.
Thereby, the students get feedback on their presentation style.
Poster presentations. In a poster symposium, all students present posters on the research done
during their in-depth practicals, thus generating a first feeling for poster sessions.
Self-management. The students manage the entire submission and peer-reviewing (editorial office)
and the scheduling of lectures and the poster symposium (conference organization team)
themselves and thereby acquire important soft-skills in team management and organization.
Teaching methods
a) Seminars b) Peer-review assisted writing
Mode of assessment
Peer-review by students of the course
Requirement for the award of credit points
Passing abstract and short communications reviewing phases, active participation
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
--
Module coordinator and lecturer(s)
C. Merten
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Master Wahlvorlesungen
Analytical Chemistry

Advanced Electrochemistry: From Fundamentals to Applications I

Module Credits Workload Term Frequency Duration
2.1 5 CP 150 h 1.,3. Sem. WS 1 Semester
Courses Contact Self-Study Group size
a) Elective Course hours 108 h 30 Students
b) Elective Lecture I-VI a) 2 SWS
b) 1 SWS
Prerequisites
Knowledge of basic electrochemistry
Learning outcomes
The students should gain an advanced understanding of theory and practice of modern electrochemical
techniques, applications, and possible combinations with other methods like e.g. spectroscopic methods.
Content
General Principles in Electrochemistry (Electrochemical Thermodynamics; Mass Transport in Solution
(Fundamentals) ; The Electrochemical Double Layer)
Kinetics of Electrochemical Reactions (Activation Energies and Their Consequences for Electrochemistry,
Tafel analysis; CV Shapes as Means to Identify Reaction Mechanisms; The Marcus Theory in
Electrochemistry and Beyond)
Electrocatalysis (Mass Transport and its Effect on Voltammetry; Fundamentals of Rotating Disc Electrodes
and Rotating Ring Disc electrodes; Electrocatalysis: Fundamentals and Wording)
Electrochemical Impedance Spectroscopy (Introduction to Electrochemical Impedance Spectroscopy;
Revision on Impedance Characteristics of Electrical Circuits; Equivalent Circuit Models in Electrochemistry
and Data Acquisition)
Teaching methods
a)Lecture; b) Exercise
Mode of assessment
30 - 45 min end-of-term oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
K. Tschulik, C. J. Bondue, H. Amin, J. Linnemann
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Advanced Electrochemistry: From Fundamentals to Applications II

Module Credits Workload Term Frequency Duration
2.2 5 CP 150 h 2. Sem. SoSe 1 Semester
Courses Contact hours Self-Study Group size
a) Elective Course a) 2 SWS 108 h 30 Students
b) Elective Lecture I-VI b) 1 SWS

Prerequisites
Knowledge of basic electrochemistry; attending Advanced Electrochemistry I beforehand is recommended
Learning outcomes
The students should gain an advanced understanding of theory and practice of modern electroanalytical
techniques, applications, and possible combinations with other methods like e.g. spectroscopic methods.
Content
Local and Nanoscale Electrochemistry (Mass transport at microelectrodes; Mass transport at heterogeneous
and nanoparticle modified electrodes; Electrochemical scanning probe techniques)
Electrochemical Adsorption Processes (Adsorption Isotherms and competitive adsorption; Exploiting
electrochemical adsorption to determine surface areas, underpotential deposition; Mechanisms of
hydrogen evolution, Langmuir-Hinshelwood and Eley-Ridal mechanism)
Electrocatalysis II (Factors controlling electrocatalysis; Molecular electrocatalsis)
Advanced Electrochemical Impedance Spectroscopy ( Electrochemical impedance characteristics for
different modes of mass transport; Electrochemical impedance characteristics for adsorption processes and
porous electrodes)
Teaching methods
Lecture and Seminar
Mode of assessment
30 - 45 min end-of-term oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
K. Tschulik, C. J. Bondue, H. Amin, J. Linnemann
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Research practical in the focal point programme

Module Credits Workload Term Frequency Duration
2.3 15 CP 450 h 3. Sem. Every semester 1 Semester
Courses Contact hours Self-Study Group size
Practical lab course (15 hours per week) 15 h per week 240 h 1
within research projects.
Prerequisites
Knowledge of analytical and/or electrochemical methods
Learning outcomes
The students should gain an advanced theoretical and practical understanding of surface analytical
techniques, electrochemical methodology including micro- and nanoelectrochemistry, and electrocatalysis
for energy conversion embedded within actual research projects in the research groups of the chairs of
analytical chemistry. They gain insight into modern research methods and topics in the actual research
projects. The students should develop skills to self-reliantly plan, set up, work up and analyze experiments.
Contents:
 Surface functionalization and characterization of biointerfaces
 Bioelectrochemistry with applications in biosensors and biofuel cells
 Electrocatalysis for energy conversion in fuel cells and electrolyzers
 High-throughput electrochemical materials screening
 Synthesis and characterization of electrocatalysts for energy conversion reactions
 Microelectrochemistry and single-entity electrochemistry
 Battery research
 Electrodeposition, magneto-electrochemistry,
 Scanning electrochemical microscopy; scanning electrochemical cell microscopy

Teaching methods
Practical lab course
Mode of assessment
Lab report
Requirement for the award of credit points
All experiments are completed successfully and available in the electronic lab book. The results are
summarized in a written report.
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Research group leaders of the chair of analytical chemistry
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical "Biointerfaces"

Module Credits Workload Term Frequency Duration
2.4 8 CP 240 h 1., 2. Sem. Every semester 1 Semester
Courses Contact hours Self-Study Group size
Lab course with a) 30 h Individuals or
a) 30 hours per week for 5 to 6 weeks lab work b) 60 h small teams
b) 2 weeks for writing of the report and (<5 students)
preparation of the oral presentation
Prerequisites
Fundamental knowledge about spectroscopy
Learning outcomes
The in-depth course is a practical introduction to the preparation and characterization of (bio-) functional
interfaces. Functional coatings will be prepared by self-assembly, grafting and surface initiated synthesis. A
training in different optical, infrared and imaging techniques is provided. Besides surface characterization,
specific and nonspecific adsorption as well as biological attachment experiments are part of the training.
Content
Self assembly, chemical grafting, surface initiated polymerization reactions, spectral ellipsometry, contact
angle goniometry, ATR-FTIR, SPR, Fluorescence microscopy, microfluidics.
Teaching methods
Lab course and Seminar
Mode of assessment
Lab report and oral presentation
Requirement for the award of credit points
The course is successfully completed with the approved written report and oral presentation (20 min)
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
A. Rosenhahn
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical "Advanced Electrochemistry – From Fundamental to

Applications"
Module Credits Workload Term Frequency Duration
2.5 8 CP 240 h 1., 2. Sem. Every semester 1 Semester
Courses Contact Self-Study Group size
lab course hours 1 Student
a) Elective Course a) 30 h b) 60 h
b) Elective Lecture I-VI
Prerequisites
Knowledge of basic electrochemistry
Learning outcomes
The students will gain a high-level understanding and practical expertise in advanced methods in electro-
chemistry. This includes electrode preparation, modification and characterization, performing of
electrochemical measurements, data analysis and interpretation of data. Students will learn to plan,
perform and interpret experiments as a means to solve analytical and physical-chemistry problems.
Content
Individual research projects are offered, covering one or more topics.
Topics: Activity testing of electrocatalysts and single entities; Surface characterization; Electrosynthesis for
the sustainable production of value-added chemical and renewable fuels; Electrodeposition of metals, alloys
and conducting polymers; Magnetic field enhanced electrochemistry; Electrochemical energy conversion
and storage: batteries, superconductors, redox-flow batteries; Development of electrochemical sensors.
In these projects one or more of the following techniques will be employed:
Standard Techniques of Electrochemistry: potential step experiments, impedance spectroscopy,
voltammetry at catalyst-modified electrodes including rotating (ring) disk electrode (R(R)DE)
measurements; Single particle electrochemistry, Electrochemical quartz crystal microbalance
measurements.
Electrochemistry Combined with Advanced Analysis Techniques: Electrochemistry coupled to Raman, IR,
Hyperspectral imaging dark field microscopy; Electrochemical atomic force microscopy; Differential
electrochemical mass spectrometry (DEMS); Scanning electrochemical techniques
Numerical Simulations: Besides these experimental courses, theory practicals are offered on numerical
simulation of mass transport in electrochemical systems
Teaching methods
lab course a) 30 hours per week for 5-6 weeks b) 2-3 weeks for writing and preparation of the oral
presentation
Mode of assessment
Lab report and oral presentation
Requirement for the award of credit points
All experiments are completed successfully and written up in a lab report, oral presentation (15 minutes)
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
K. Tschulik, J. Linnemann, C. Bondue
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical "Scanning Electrochemical Microscopy and

Microelectrochemistry"
Module Credits Workload Term Frequency Duration
2.6 8 CP 240 h 1., 2. Sem. Every semester 1 Semester
Courses Contact Self-Study Group size
Elective Course hours
Elective Lecture I-VI a) 30 h b) 60 h

Prerequisites
Basics in electrochemistry
Learning outcomes
The students should gain an advanced theroretical and practical understanding on the preparation and
application of ultra-microelectrodes and electrolyte-filled capillaries and their positioning in scanning
electrochemical microscopes (SECM), scanning electrochemical cell microscopes (SECCM). And scanning
droplet cells (SDC). This contains knowledge of the control software, different operation modi of the
SECM, SDC and SECCM. The students should learn to plan, perform and interpret SECM, SECCM and
SDC experiments to solve analytical problems.
Content
Microelectrodes, preparation of micro- and nanoelectrodes (Pt, carbon fibers), SECM, SECCM, SDC,
operation modi, control software, application of SECM, SDC and SECCM.
Teaching methods
Lab course with
a) 30 hours per week for 5 to 6 weeks lab work
b) 2 weeks for writing of the report and preparation of the oral presentation
Mode of assessment
Lab report and oral presentation
Requirement for the award of credit points
Passing the oral exam All experiments are completed successfully and available in the electronic lab book.
The results are summarized in a written report. Oral presentation (20 min)
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
K. Tschulik; W. Schuhmann
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical "Sensors and Bioanalytics"

Module Credits Workload Term Frequency Duration
2.7 8 CP 240 h 1., 2. Sem. Every semester 1 Semester
Courses Contact Self-Study Group size
Elective Course hours 1
Elective Lecture I-VI a) 30 h b) 60 h

Prerequisites
Basics in electrochemistry
Learning outcomes
The students should gain an advanced theoretical and practical understanding of the preparation and
application of biosensors. This contains the synthesis and use of redox polymers in amperometric
biosensors, as well as the immobilisation of enzymes on electrode surfaces. The students should learn to
plan, perform and interpret measurements for the solution of analytical problems by means of
amperometric biosensors.
Content
Amperometric biosensors, electron transfer between redox enzymes and electrodes, redox mediators, redox
polymers, electrodeposition paints, immobilization of enzymes in polymer layers and on self-assembled
monolayers, chronoamperometry, flow injection analytics, sequential injection analytics
Teaching methods
Lab course with
a) 30 hours per week for 5 to 6 weeks lab work
b) 2 weeks for writing of the report and preparation of the oral presentation
Mode of assessment
Lab report and oral presentation
Requirement for the award of credit points
All experiments are completed successfully and available in the electronic lab book. The results are
summarized in a written report. Oral presentation (20 min)
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
W. Schuhmann
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical "Nanomaterials – Synthesis, Characterization and

Application"
Module Credits Workload Term Frequency Duration
2.8 8 CP 240 h 1., 2. Sem. Every semester 1 Semester
Courses Contact Self-Study Group size
Elective Course hours 1 Student
Elective Lecture I-VI a) 30 h b) 60 h

Prerequisites
Knowledge of basic electrochemistry
Learning outcomes
Students will gain an advanced practical experience and understanding of the synthesis and
characterization of functional nanoparticles and nanostructured materials. Methods in nanoparticle
synthesis, modification of nanomaterials and surface-immobilization will be complemented with different
physical and chemical characterization methods of nanomaterials. Applications will range from
electrocatalysis and electrosynthesis to sensing of molecules, nanoparticles and micro-organisms in real-
world sample.
Content
(1) Wet-chemical nanoparticle synthesis of: core/shell nanoparticles, alloys, nanowires, and nanocubes;
(2) surface immobilization of nanoparticles including electrodeposition of nanowires; (3) Nanoparticle
modification by: ligand exchange, underpotential deposition and electrochemical dealloying; (4) Single
nanoparticle electrochemistry; (5) Combined electrochemical and microscopy analysis of nanoparticles
includingidentical location electron microscopy and atomic force microscopy. (6) electrocatalytic activity
testing also in the context of electrosynthesis. (6) Nanoparticle corrosion and aggregation studies,
(7) Spectroscopic nanomaterial characterization to deterimine size- and shape-depend reactivity
in(electro)catalysis
Teaching methods
lab course
a) 30 hours per week for 5-6 weeks
b) 2-3 weeks for writing and preparation of the oral presentation
Mode of assessment
Lab report and oral presentation
Requirement for the award of credit points
All experiments are completed successfully and written up in a lab report, oral presentation (15 min)
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
K. Tschulik, W. Schuhmann
Further information

17
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical "Electrocatalysis and Energy Conversion"

Module Credits Workload Term Frequency Duration
2.9 8 CP 240 h 1., 2. Sem. Every semester 1 Semester
Courses Contact Self-Study Group size
Elective Course hours 1
Elective Lecture I-VI a) 30 h b) 60 h

Prerequisites
Basics in electrochemistry
Learning outcomes
The students should gain an advanced theoretical and practical understanding of the characterization and
optimization of materials for energy conversion and electrocatalysis. This contains knowledge of the
preparation procedures as well as of the practical performance of electrochemical measurements. The
students should learn to plan, perform and interpret electrochemical experiments including cyclic
voltammetry, impedance spectroscopy, rotating disc and rotating ring-disk measurements, operation of
model electrolyzers etc.
Content
Electrocatalysis: optimization of the activity of electrocatalysts; catalyst ink preparation, gas diffusion
electrodes fabrication, electrocatalyst synthesis and characterization
Teaching methods
Lab course with
a) 30 hours per week for 5 to 6 weeks lab work
b) 2 weeks for writing of the report and preparation of the oral presentation
Mode of assessment
Lab report and oral presentation
Requirement for the award of credit points
All experiments are completed successfully and available in the electronic lab book. The results are
summarized in a written report. Oral presentation (20 min)
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
K. Tschulik; W. Schuhmann
Further information

18
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Inorganic Chemistry

Bioinorganic Chemistry I
Module Credits Workload Term Frequency Duration
3.1 5 CP 150 h 1st or 3rd Only WS 1 Semester
Sem.
Courses Contact Self-Study Group size
a) Bioinorganic Chemistry I hours 105 h
(Lecture and Seminar) 3 SWS
Prerequisites
Basic Understanding of general chemistry, coordination chemistry and biochemistry
Learning outcomes
After successful completion of this module, the students have
- A basic understanding of the role of metals in a biological environment
- Knowledge about the structure, function and properties of metalloenzymes

The students are able to

- Identify, solve, and discuss problems related to the role of metal centers in biomolecules
- Find, read, and critically comment on pertinent literature in the field of Bioinorganic
Chemistry
Content
The lecture covers classical bioinorganic chemistry topics, including but not restricted to the
following: Occurrence of metal ions and compounds in the environment, metal ion uptake and
homeostasis, metals as active sites in metalloenzymes, spectroscopic characterization of metal
centers in biomolecules, reaction mechanisms of metalloenzymes, model compounds for
metalloenzymes, activation and metabolism of small molecules by metal centers and
metalloenzymes (e.g. H2, O2, N2, CH4, etc.).
Teaching methods
Lecture and Seminar with student contributions (e.g. presentation, video, written contribution
such as project draft or grant application)
Mode of assessment
Written exam and grading of student contributions
Requirement for the award of credit points
Active participation in student contribution, successful completion of written exam
Module applicability
Master Chemistry, Master Biochemistry, Master Biology
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
Nils Metzler-Nolte, Ulf-Peter Apfel and Members of Inorganic Chemistry I
Further information

19
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Crystal Engineering – Chemistry beyond the molecule

Module Credits Workload Term Frequency Duration
3.2 5 CP 150 h 2. Sem. Each SuS 1 Semester
Courses Contact hours Self-Study Group size
c) Lecture c) 2SWS/30 h Students of the
d) Exercise d) 1 SWS/15 h 105 h respective
semester, ca. 25
Prerequisites
After successful completion of the module, students have a basic knowledge of the aggregation
behavior of small organic molecules in crystal structures.

Learning outcomes
After the successful completion of the module
 Students will have advanced knowledge of supramolecular synthons, intermolecular
interactions, and the design of crystal structures with small organic molecules
 Students will be able to specifically design polymorphic forms as well as multi-
component crystals based on crystal structure predictions.
Content
 Aggregation phenomena of organic molecules in solid state (crystal packing)
 Crystal Design Strategies with organic molecules
 Strong and weak intermolecular Interactions (focusing most of lectures series)
 Supramolecular Synthons
 Crystal Structure prediction (CSP)
 Polymorphism
 Multi-component crystals
 Applications
 Special crystallization techniques
Teaching methods
Lecture with exercises
Mode of assessment
end-of-term written exam and talks on selected topics
Requirement for the award of credit points
Passing the written examination and talks on selected topics
Module applicability
Chemistry (Master), IMOS
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Dr. Klaus Merz
Further information

20
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Medicinal Inorganic Chemistry

Module Credits Workload Term Frequency Duration
3.3 5 CP 150 h 2nd or 4th Only SoS 1 Semester
Sem.
Courses Contact Self-Study Group size
b) Medicinal Inorganic Chemistry hours 105 h
(Lecture and Seminar) 3 SWS

Prerequisites
Basic Understanding of general chemistry, coordination chemistry and biochemistry
Learning outcomes
After successful completion of this module, the students have
- An advanced understanding of the role of metal ions in health and disease
- Knowledge about the most important metallodrugs and their mode of action

The students are able to

- Identify, solve, and discuss problems related to the role of metal compounds in health and
disease
- Find, read, and critically comment on pertinent literature in the field of Medicinal
Inorganic Chemistry
Content
The lecture covers medicinal inorganic chemistry topics, including but not restricted to the
following: Concepts of drug discovery and development; Health and diseases in metal ion
homeostasis; Toxicity of metals and metal compounds; Synthesis, properties and mode of action
of metallodrugs (e.g. metal complexes as anti-cancer drugs, as anti-infectives, in
neurodegenerative diseases, etc.).
Teaching methods
Lecture and Seminar with student contributions (e.g. presentation, video, written contribution
such as project draft or grant application)
Mode of assessment
Written exam and grading of student contributions
Requirement for the award of credit points
Active participation in student contribution, successful completion of written exam
Module applicability
Master Chemistry, Master Biochemistry, Master Biology
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
Nils Metzler-Nolte and Members of Inorganic Chemistry I
Further information

21
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Main Group Chemistry: From Curiosities to Catalysis

Module Credits Workload Term Frequency Duration
3.4 5 CP 150 h 1st or 3rd Only WS 1 Semester
Sem.
Courses Contact Self-Study Group size
Main Group Chemistry: From Curiosities hours 105 h
to Catalysis (Lecture and Seminar) 3 SWS

Prerequisites
Basic Understanding of general chemistry, organometallic chemistry and catalysis.
Learning outcomes
After successful completion of this module, the students have a basic understanding
- of the reactivity of organometallic compounds of the s- and p-block elements
- of structure reactivity relationships and applications in the activation of small molecules
(H2, N2, CO, CO2) and strong bonds as well as in homogeneous catalysis.

The students are able to

- Identify, solve, and discuss problems related to the bonding situation, properties and
reactivity of s- and p-block element compounds
- Find, read, and critically comment on pertinent literature in the field of main group
chemistry
Content
The lecture covers recent developments in molecular main group chemistry with focus on the
stabilization of reactive species with unusual bonding situations and applications in catalysis.
The following topics may be covered:
- Synthesis, properties and reactivities of low-valent p-block element compounds and
compounds including formal element multiple bonds.
- Synthesis, properties and reactivities of s-block metal organyls and hydrides
- Activation of strong bonds and small molecules with main group compounds, including
different concepts such as Frustrated Lewis pairs and cooperative effects as well different
mechanisms (e.g. oxidative addition, metathesis)
- Applications in homogeneous catalysis

The lecture will particularly focus on underlying concepts (Structure-activity relationships, acidity
and basicity, trends in the periodic table etc.) and molecular design strategies.
Teaching methods
Lecture and seminar with student contributions (e.g. presentation, video, computational studies,
written contribution such as project draft or grant application)
Mode of assessment
Written exam and grading of student contributions
Requirement for the award of credit points
Active participation in student contribution, successful completion of written exam
Module applicability
Master Chemistry
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
Viktoria Däschlein-Gessner and Members of Inorganic Chemistry II
Further information

22
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Green and Sustainable Chemistry

Module Credits Workload Term Frequency Duration
3.5 5 CP 150 h 1st or 3rd Only WS 1 Semester
Sem.
Courses Contact Self-Study Group size
Green and Sustainable Chemistry hours 105 h
(Lecture) 2 SWS

Prerequisites
Basic Understanding of general chemistry
Learning outcomes
After successful completion of this module, the students have
- A basic understanding of the principles of green and sustainable chemistry
- Concepts for mechanochemistry as well as technical electrochemistry
- Implementation of new technologies in an industrial context

The students are able to

- Identify, solve, and discuss problems related to sustainable processes
- Find, read, and critically comment on pertinent literature in the field of green and
sustainable chemistry
Content
The lecture covers chemistry topics, including but not restricted to the following: The 12
principles of green chemistry, the development and necessity to create green and sustainable
processes, the utilization of solvent reduced or free chemical processes, the electrification of
chemical processes (including Power-to-X processes, batteries/redox-flow batteries, fuel cells etc.).
Teaching methods
Lecture
Mode of assessment
Written or oral exam
Requirement for the award of credit points
Successful completion of written exam
Module applicability
Master Chemistry, Master Biochemistry, Master Biology, Master Engineering
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
Lars Borchardt, Ulf-Peter Apfel
Further information

23
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth practical: Green and Sustainable Chemistry

Module Credits Term
Workload Frequency Duration
3.6 7.5 CP 225 h1st to 3rd WS and SoS 6 Weeks
Sem.
Courses Contact Self-Study Group size
Green and Sustainable Chemistry hours 65 h Individual
(Lab practical) 160 h

Prerequisites
Basic Understanding of general chemistry, inorganic chemistry and analytical methods
Learning outcomes
After successful completion of this practical, the students have
- Hands-on experience in performing selected analytical methods frequently used and
running the respective instruments
- A practical understanding of parameters defining green and sustainable processes

The students are able to

- Apply suitable methods to solve problems or answer questions in the field
- Analyse and professionally report / document analytical data
- Correlate the principles of green chemistry to individual problem sets and from
experimental data, and critically comment on those
Content
In this lab practical, the students will identify and then perform suitable experiments to answer
research questions related to a scientific project under the supervision of their mentor. Typically,
the lab practical will involve first the synthesis of a new or known compound or material or
reaction implementing the principles of green chemistry, and then comprise running the
necessary experiments. The research topic will be in the scientific (PhD or postdoc) project of the
supervisor, including but not limited to areas such as mechanochemistry, catalysis and
electrochemistry.
Teaching methods
Lab practical
Mode of assessment
Written report, typically in the form of a scientific publication
Requirement for the award of credit points
Active participation in lab work, successful completion of written report
Module applicability
Master Chemistry, Master Biochemistry, Master Physics, Master Engineering
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
All professors and Independent Group Leaders in Inorganic Chemistry
Further information

24
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Computational Chemistry in Inorganic Chemistry

Module Credits Workload Term Frequency Duration
3.7 7.5 CP 225 h 1st to 3rd WS and SoS 6 Weeks
Sem.
Courses Contact Self-Study Group size
Computational Chemistry hours 65 h Individual
(Lab/office practical) 160 h
Prerequisites
Basic Knowledge of Theoretical Methods and computer skills
Learning outcomes
After successful completion of this practical, the students have
- Hands-on experience in performing the current state-of-the-art computational methods
used to theoretically model molecular and/or solid systems.
- A basic practical understanding of computational chemistry and the application of
computational methods and programs
The students are able to
- apply state-of-the-art computational methods used to theoretically model molecular
and/or solid systems.
- analyse, interpret and document computational results to answer a given research
question.
- search the literature, related to the given research question, and relate their research results
to the state-of-the-art.
Content
In this practical, the students will perform theoretical calculations to deduce structure-activity
relationships and understand chemical properties and reactivities. They will learn how to use a
UNIX type environment, edit input files and visualize chemical systems. Furthermore, they will
be trained in applying different computational methods. Topics my include for example the use
of
- density functional theory approaches to elucidate reaction profiles and bonding situations
- force field calculations of inorganic systems including structural optimizations and
molecular dynamics, first principles calculations with DFT or wave function based
methods for molecular systems and extended solids (structural analysis and/or
spectroscopic properties like normal modes).
- Machine learning methods to quantitatively describe structure activity relationships
These computational methods are applied within a scientific context, connected to the current
research projects of the supervisor, including but not limited to materials chemistry,
organometallic and main group chemistry as well as catalysis.
Teaching methods
Computational practical
Mode of assessment
Written report, typically in the form of a scientific publication
Requirement for the award of credit points
Active participation in computational work, successful completion of written report
Module applicability
Master Chemistry
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
Prof. Dr. Rochus Schmid, Prof. Dr. Viktoria Däschlein-Gessner
Further information

25
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth practical: Analytical Methods in Inorganic Chemistry

Module Credits Workload Term Frequency Duration
3.8 7.5 CP 225 h 1st to 3rd WS and SoS 6 Weeks
Sem.
Courses Contact Self-Study Group size
Analytical Methods in Inorganic hours 65 h Individual
Chemistry (Lab practical) 160 h

Prerequisites
Basic Understanding of general chemistry, inorganic chemistry and analytical methods
Learning outcomes
After successful completion of this practical, the students have
- Hands-on experience in performing selected analytical methods frequently used in
inorganic chemistry, and running the respective instruments
- A practical understanding of analytical methods in inorganic chemistry

The students are able to

- Apply suitable analytical methods to solve problems or answer questions in inorganic
chemistry
- Analyse and professionally report / document analytical data
- Deduce structure and properties from analytical data, and critically comment on those
Content
In this lab practical, the students will identify and then perform suitable analytical experiments to
answer research questions related to a scientific project under the supervision of their mentor.
Typically, the lab practical will involve first the synthesis of a new or known compound or
material or reaction, and then comprise running the necessary analytical experiments on
advanced spectrometers or other equipment. The research topic will be in the scientific (PhD or
postdoc) project of the supervisor, including but not limited to areas such as main group
chemistry, organometallic or coordination chemistry, catalysis, or materials, green and medicinal
inorganic chemistry.
Teaching methods
Lab practical
Mode of assessment
Written report, typically in the form of a scientific publication
Requirement for the award of credit points
Active participation in lab work, successful completion of written report
Module applicability
Master Chemistry, Master Biochemistry
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
All professors and Independent Group Leaders in Inorganic Chemistry
Further information

26
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Bioinorganic Chemistry

Module Credits Workload Term Frequency Duration
3.9 7.5 CP 225 h 1st to 3rd WS and SoS 6 Weeks
Sem.
Courses Contact Self-Study Group size
Bioinorganic Chemistry hours 65 h Individual
(Lab practical) 160 h

Prerequisites
Basic Understanding of general chemistry, inorganic chemistry and biochemistry
Learning outcomes
After successful completion of this practical, the students have
- Hands-on experience in performing chemical synthesis and analytical methods typically
used in bioinorganic or medicinal inorganic chemistry
- A basic practical understanding of bioinorganic chemistry

The students are able to

- Synthesize compounds of bioinorganic interest and analyze their properties (including
biological), or otherwise study a biological system of interest to bioinorganic chemistry
- Analyse and document analytical data to deduce the answers to a given research question
in bioinorganic chemistry
- Search the literature related to the given research question, and critically comment on the
results
Content
In this lab practical, the students will perform chemical synthesis, analytical measurements, or
otherwise lab experiments (e.g. including cell biology or microbiology work) as part of an ongoing
research project in the broad area of bioinorganic chemistry. Data will be analyzed to deduce
structure-activity relationship, and compared to published scholarly information. The research
topic will be in the scientific (PhD or postdoc) project of the supervisor, including but not limited
to areas such as organometallic or coordination chemistry, catalysis, enzyme or medicinal
inorganic chemistry.
Teaching methods
Lab practical
Mode of assessment
Written report, typically in the form of a scientific publication
Requirement for the award of credit points
Active participation in lab work, successful completion of written report
Module applicability
Master Chemistry, Master Biochemistry
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
All professors and Independent Group Leaders in Inorganic Chemistry
Further information

27
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Molecular Chemistry and Synthesis

Module Credits Workload Term Frequency Duration
3.10 7.5 CP 225 h 1st to 3rd WS and SoS 6 Weeks
Sem.
Courses Contact Self-Study Group size
Molecular Chemistry and Synthesis hours 65 h Individual
(Lab practical) 160 h

Prerequisites
Basic Understanding of general chemistry, inorganic chemistry and synthesis methods
Learning outcomes
After successful completion of this practical, the students have
- Hands-on experience in performing chemical synthesis by methods frequently used in
inorganic chemistry, and suitable methods of characterization of the new compound or
material
- A practical understanding of synthesis methods in inorganic chemistry

The students are able to

- Synthesize new inorganic chemistry
- Analyse and document analytical data to establish identity and purity of inorganic
compounds and materials
- Search the chemical literature for suitable synthesis methods, and critically comment on
those
Content
In this lab practical, the students will perform chemical synthesis of known or new compounds
or materials as part of an ongoing research project. Identity and purity of the product will be
established by suitable methods, and the properties of the new compound / material will be
analyzed. The research topic will be in the scientific (PhD or postdoc) project of the supervisor,
including but not limited to areas such as main group chemistry, organometallic or coordination
chemistry, catalysis, or materials, green and medicinal inorganic chemistry.
Teaching methods
Lab practical
Mode of assessment
Written report, typically in the form of a scientific publication
Requirement for the award of credit points
Active participation in lab work, successful completion of written report
Module applicability
Master Chemistry, Master Biochemistry
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
All professors and Independent Group Leaders in Inorganic Chemistry
Further information

28
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Research Practical: Inorganic Chemistry

Module Credits Workload Term Frequency Duration
3.11 15 CP 450 h 3rd Sem. WS and SoS 3 Months
Courses Contact Self-Study Group size
Inorganic Chemistry hours 130 h Individual
(Lab practical) 320 h

Prerequisites
Advanced Understanding of Inorganic Chemistry, including synthesis and analytical methods
Learning outcomes
After successful completion of this practical, the students have
- Advanced expertise in inorganic chemistry, including synthesis, analytical or
computational methods as applicable to the project
- A good practical understanding of inorganic chemistry

The students are able to

- Search the chemical literature for suitable methods to address a given problem
- Select suitable methods and plan their research to solve the given problem
- Execute their research independently, but under supervision of a mentor
- Professionally analyse and document their data according to the established scholarly
standards in inorganic chemistry
Content
The research practical will be performed as part of an ongoing research project, forming by itself
a small independent project. Content will include a literature search, identification and
application of suitable methods (e.g. synthesis, analytical, computational), and independent
execution of the work, in close interaction with the supervisor / mentor. The research topic will
be in the scientific project of the supervisor, including but not limited to areas such as main
group chemistry, organometallic or coordination chemistry, catalysis, or materials, green and
medicinal inorganic chemistry.
Teaching methods
Lab practical
Mode of assessment
Written report, typically in the form of a project proposal
Requirement for the award of credit points
Active participation in lab work, successful completion of written report
Module applicability
Master Chemistry, Master Biochemistry
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
All professors and Independent Group Leaders in Inorganic Chemistry
Further information

29
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Biochemie

Introduction to Bioinformatics
Module Credits Workload Term Frequency Duration
4.1 5 CP 150 h 1st semester only winter term 1 semester
Course Contact Self-study Group size
a) Lecture: Introduction to Bioinformatics hours 122 h a) unlimited
b) Computer Practical: Introduction to 28 h b) maximum 40
Bioinformatics students in
parallel
sessions
Prerequisites:
Knowledge of basic concepts of Biochemistry, Genetics and Molecular Biology lectures
Learning outcomes
In this combined lecture/practical module the students are introducted to the basic concepts of
Bioinformatics. The topics covered range from basic sequence analysis to the visualization and
interpretation of 3D structures of proteins. Strong emphasis is given to classical structure
prediction methods for RNA and proteins, being also complemented to novel artifical intelligence
techniques. The algorithmic principles are teached as necessary for a basic understanding. A
strong focus lies on the extension of theoretical knowledge to development of practical skills,
enabling the student to become familiar with tools available free of charge from the internet, and
to make use of them for the theoretical planning and experimental interpretation of their own
laboratory work. These subjects are further engrossed by the exercises and computer practicals.
Content
a) Lecture
 Introduction and Overview of Bioinformatics
 Genomes and Genome Analysis – Next Generation Sequencing
 Databases I – Literature Search - Virtual Cloning
 Binary Sequence Comparison
 Local AlignmentsLocal and Global Alignments - Motifs and Profiles
 Global Multiple Sequence Alignments
 Molecular Dynamics Simulation I - Visualization of proteins
 Molecular Dynamics Simulation II – Structure Prediction of Proteins using AI
 Databases II - Protein Structure Base - Visualization of Biomolecules
 Validation of ProteinStructures
 Phylogeny
 Structure Prediction and Gene Finding
 RNA analysis -Transcriptome Analysis
 Machine Learning in Bioinformatics
b) Exercise and Computer Practical
 Databases
 Virtual Cloning
 Phylogenetic Analysis
 Transcriptome Analysis
 Validation of Protein Structures
 Structure Prediction
 Molecular Dynamics Simulation
Teaching methods
a) Lecture

30
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

b) Exercises and Computer Practical. Home work on selected assignments and supervision of
script-based practical work at the computer pool of the university
Mode of assessment
Written exam
Requirement for the award of credit points
Passing the exam
Module applicability
Master of Science Biochemistry, also open to M. Sc. students of Stem Cell Biology, Applied
Informatics, Physics, Medical Physics, and to B. Sc. students of Biology
Weight of the mark for the final score
Weighted by CP
Module coordinator and lecturer(s)
M. Lübben, R. Stoll, T. Rudack, A. Mosig
Further information

31
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Biochemistry III
Module Credits Workload Term Frequency Duration
4.2 5 CP 120 h 5. Sem. nur WS 1 Semester
Courses Contact Self-Study Group size
Biochemistry III (184500) hours 88 h ca. 55 students
32 h
Prerequisites
none
Learning outcomes
The lecture imparts knowledge about the complex regulatory processes specific to eukaryotic cells
that play a role in the expression of genetic information from the chromosome to the mRNA.
Furthermore, the regulatory mechanisms of the targeting of proteins transported within the cell,
cell cycle regulation and the molecular basis of the immune system are taught. In addition, the
participants are introduced to the scientific language English by using the English language while
simultaneously showing German-language slides. After completing the lecture, the participants
have an overview of the regulatory mechanisms in eukaryotes and an understanding of the basic
English-language terms of biochemistry.
Content
The lecture deals with the complex regulatory mechanisms in eukaryotes:
• Structure of eukaryotic cells: differences to prokaryotes, organelles
• Chromosome structure: polyteny, nucleosomes, chromatin structure
• Replication in eukaryotes: mechanism, DNA polymerases, DNA topology,
topoisomerases, telomerase
• Recombination mechanisms: DNA repair, heteroduplex, Holliday structure, recA protein,
gene conversion, transgenic animals
• Transposable elements: pseudogene and processed genes, transposons, retroposons, yeast
TY, Drosophila FB elements
• Reassociation of nucleic acids: stability of double-stranded nucleic acids, Tm value,
repetitive DNA
• Transcription in eukaryotes: nuclear structure, transport through nuclear pores, capping,
RNA classes
• RNA polymerase I: ribosomal RNA, promoter, processing, nucleolus
• RNA polymerase III: gene structure, tRNA structure, promoter structure, DNA
binding proteins, zinc finger proteins, leucine zipper, regulation of transcription factors
• RNA polymerase II: promoter structure, RNA capping, polyadenylation, spliceosome,
splice variants
• Ribozymes: self-splicing introns, ribozymes, tetrahymena, RNase, editing of RNA
• Regulation of gene expression: transcription initiation, enhancer/silencer,
modular transcription factors, 2-hybrid system, steroid receptors
• Translocation of proteins: signaling hypothesis, SRP, docking proteins, integration
of membrane proteins, import into organelles
• Cell cycle: phases of the cell cycle, cyclins, CDKs, regulation
• Immune system: immune cells, antibody structure, antibody diversity, T cell receptor,
MHC molecules
• Complement system: complement activation, amplification cascade, MAC
Teaching methods
Lecture
Mode of assessment
Written exam
Requirement for the award of credit points
Passing the exam
32
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Module applicability (in other studies courses)

Master studies course Chemistry
Weight of the mark for the final score
weighted according to the CP (5 CP)
Module coordinator and lecturer(s)
M. Hollmann, D. Tapken
Further information

Biochemistry IV - Biochemistry of Membrane Receptors

Module Credits Workload Term Frequency Duration
4.3 7 CP 210 h 2nd only summer 1 semester
semester term
Courses Contact Self-Study Group size
Biochemistry IV – Biochemistry of hours 182 h 45 students
Membrane Receptors (185820) 28 h
Prerequisites
Familiarity with the contents of the Bachelor studies course lectures Biochemistry 0, I, II, and III.
Learning outcomes
Students will gain an overview of the various membrane receptors and ion channels, their
structure-function relationships, and the intracellular signal transduction pathways these
receptors are connected to. A further focus will be on understanding the interplay between
different signal transduction pathways as well as the regulatory principles governing them.
Students are supposed to grasp the wide-ranging implications that signal transduction pathways
have for cell physiology and the organism as a whole. Furthermore, students are expected to learn
and understand basic concepts in biochemistry. In the context of the specific topics listed below,
reference will be made to those basic concepts of previous lectures (Biochemistry I-III) that are
considered crucial for an in-depth understanding of the principles of biochemistry.
Content
 Cell-cell contacts: Structure of tight junctions, anchoring junctions, gap junctions; function of
gap junctions.
 Cell-cell adhesion: Cell migration, N-CAMs, cadherins, selectins, integrins, activation of
endothelial cells, extracellular matrix proteins: FGF, chondroitin sulfate, laminin, fibronectin,
tenascin. Integrin receptors: MIDAS motif, I-domain, signal transduction; integrin regulation
from within the cell, regulation of the cytoskeleton, focal adhesion kinase, function during
fertilization.
 Voltage-activated ion channels: Resting membrane potential, signal propagation, sodium
currents, potassium currents, action potential; single channel conductivity, patch clamp
technique.
 Presynaptic function and vesicle release: Life cycle of a vesicle, vesicular proteins, SNARE
complex formation, fusion pore formation, NSF and SNARE complex dissolution.
 Ligand-activated ion channels: Glutamate receptors (NMDA, kainate, AMPA receptors), post-
transcriptional modifications, structure-function relationship, ligand binding site, receptor
modulation, molecular correlates of memory formation, LTP. Acetylcholine receptors: structure,
acetylcholine release, pore opening. GABA and glycine receptors: structure and function.
 Structure of the synapse: Presynaptic terminal, vesicle release, postsynaptic organization,
structure of the nerve-muscle synapse, chemical vs. electrical synapses, EPSPs, miniature
postsynaptic potentials
33
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

 Signal transduction pathways: Introduction, protein kinase A, structure-function relationship

in the catalytic center.
 Receptor protein tyrosine kinases: Subclasses. Insulin receptor and FGF receptor: extra- and
intracellular domains, heparin, EGF-receptor, PDGF receptor. Signaling modules SH2
domain, SH3 domain, TRK and GDNF receptors. Protein-protein interaction domains: SHC-
GRB2, IRS-1, protein tyrosine phosphate binding domain (PTB), pleckstrin homology domain
(PH), phospholipase C-g.
 Signal transduction of cellular survival: PI-3 kinase: P85 subunits, a, b, g, d subunits, catalytic
subunits; Bcl-2 protein family: Bcl-xl, Bak; Ras protein, MAP kinase; serine-threonine kinases:
TGF-b receptors, structure of the cytoplasmic domain, comparison to PKA, SMAD.
 Phosphotyrosine phosphatases: Mechanism, PTP-BL,PDZ domains, catalytic center
 Non-receptor tyrosine kinases: Src kinase family, structure-function relationship.
 Cytokines: Families I through IV of cytokine receptors. Class I: growth hormone,
erythropoietin, and prolactin receptors, janus kinases (JAKs), STATs, IL-6 receptor family:
signal transduction, II-2 receptor family, gene therapy. Class II: Interferon alpha (ligand),
signal transduction of the interferon alpha receptor. Class III: Tumor necrosis factor receptor
family (p55), TRAFs, TRADD, FAAD, RIP, death domain (Fas, TNFR1, p75NTR), caspases
(9.3.1), and their inhibition. Class IV: Interleukin-1 receptor, IRAP.
 Seven-transmembrane receptors/G proteins: (GPCRs): Classification, GTP-ase cycle,
transducin, regulation of GDP/GTP exchange activity, rhodopsin, regulation of guanylate
cyclase, calcium-dependent proteins, Ca/calmodulin, arrestin, photo transduction, G proteins
Teaching methods
Lecture
Mode of assessment
Written exam
Requirement for the award of credit points
Passing the exam
Module applicability (in other studies courses)
Weight of the mark for the final score
Weighted by CP
Module coordinator and lecturer(s)
M. Hollmann, T. Günther-Pomorski, S. Neumann
Further information
The PowerPoint slides shown are available on disc and/or deposited in the corresponding Moodle
course. Note-taking during lectures is encouraged. Independent post-preparation of module
contents as well as independent consultation of course material is recommended to prepare for
the exam.

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Modular Advanced Practicals in the Focal Point Programme

Module Credits Workload Term Frequency Duration
4.4 16 CP 480 h 1st semester only WS 1 semester
Courses Contact Self-Study Group size
Four modular practicals from four hours 224 h 1–4 students
different focal points. The individual 256 h
courses offered are listed on the following
pages.
Prerequisites
none
Learning outcomes
Students learn advanced techniques applied in research labs of the different focal points involved
in the studies course as well as theoretical aspects of the topics investigated in these labs.
Details on the learning outcomes of the individual courses can be found on the following pages.
Content
See individual course descriptions.
Teaching methods
Practical
Mode of assessment
Varies between courses, usually active and successful participation in the practical and either a
written project report, a presentation or a poster to present the results of the practical. Details for
each individual course can be found on the following pages.
Requirement for the award of credit points
See individual course descriptions.
Module applicability (in other studies courses)
Weight of the mark for the final score
Each of the four courses weighted by its CPs (4 CP for each course)
Module coordinator and lecturer(s)
Module coordinator: I. Dietzel-Meyer
Lecturers: See individual course descriptions.
Further information

35
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Research Practical in the Focal Point Programme

Module Credits Workload Term Frequency Duration
4.5 14 CP 420 h 3. Sem. WS 1 Semester
Courses Contact Self-Study Group size
a) Lab course hours Individual
b) Seminar a) 3 x 16h 196 h training
b) 1 x 16 h
Prerequisites
Both Advanced Practicals of Master semester 2 have to be passed
Learning outcomes
Students, coached by their chosen supervisor, are expected to learn how to plan a research project related to
a topic that is linked, in the widest sense, to the biochemistry and molecular neurobiology of the nervous
system. Students then proceed to carry out the experiments independently over the course of one semester,
thus practicing experimentation in a research lab, and how to properly evaluate and document
experimental data. Finally they practive how to write a protocol that contains all necessary information.
Finally, they show their data in the lab seminar of their supervisor in an oral or poster presentation, thereby
practicing how to present experimental data to an audience. They also write a Master exposé detailing how
they will develop their Research Practical topic into a Master thesis project. This Master exposé is to be
written in the style of a regular DFG grant proposal, with the work done during the Research Practical
described as preliminary work. The work programme should comprise at least one third of the total exposé
volume, which should be around 10 pages (half the size of a regular DFG grant proposal). The Master
exposé is graded by the supervisor to provide the grade for the Research Practical.
Content
Research projects are provided by the members of the Focal Point Programme "Biochemistry of the
Nervous System". Topicwise, any current research question within the wide area of the biochemistry of the
nervous system, neurobiochemistry, or molecular neuroscience can be offered as a project
Seminar:
Students participate in the seminars of the research group of their practical supervisor, and at the end of
their practical present their results in the form of a seminar or poster contribution.
Teaching methods
Lab course and Seminar
Mode of assessment
A protocol, and a Master exposé in the style of a DFG grant application, which is limited to 10 pages
Requirement for the award of credit points
The protocol and the Master exposé have to be submitted and accepted
Module applicability
Master of Science Biochemistry; Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
All members of the Focal Point Programme "Biochemistry of the Nervous System"
Further information

36
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Funktionale Materialien

Materials Synthesis: Fundamentals and Applications of Modern Processing

Routes for Creating Functional Materials
Module Credits Workload Term Frequency Duration
5.1 5 CP 150 h 1, 2, 3, Sem. Each SuS 1 Semester
Courses Contact hours Self-Study Group size
e) Lecture e) 2SWS/30 h Students of the
f) Exercise as seminars f) 1 SWS/15 h 65 h respective
semester, ca. 50
Prerequisites
Admission to Master Course Program: Basic knowledge in chemistry (inorganic, analytical and
physical chemistry).
Learning outcomes
After the successful completion of the module
 Students will have advanced knowledge on processing of functional materials, material
properties and advanced technological applications
 Students will be able to apply their knowledge on current research topics in processing of
advanced functional materials
 Define topics for research projects in the field of materials chemistry
Content
 Fundamental principles in materials processing
 Theoretical models for prediction of material formation and properties
 Mechanism of materials processing via solid-state and gas phase processing
 Routes to material synthesis: wet chemical processes, precursor routes, metal vapor and
gas phase synthesis
 Materials characterization to elucidate structure, morphology, composition
 Application: Case studies
Teaching methods
Lecture with seminars
Mode of assessment
End-of-term written exam
Requirement for the award of credit points
Passing the written examination and talks on selected topics
Module applicability
Chemistry (Master), Materials Science and Simulation (MSS-ICAMS)
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Anjana Devi
Further information

37
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Introduction to Chemistry of Materials (lecture series)

Module Credits Workload Term Frequency Duration
5.2 5 CP 150 h 1, 3 Each WS 1 Semester
Courses Contact hours Self-Study Group size
g) Lecture series g) 150 h Students of the
h) Guest lectures, colloquia 75 h respective
semester, ca. 40
Prerequisites
Admission to Master Course Program: Basic knowledge of general, inorganic, and analytical
chemistry; fundamental knowledge on material synthesis and properties.
Learning outcomes
 The purpose of this module is to familiarize students with important but selected
examples of advanced materials and issues relating to their advantages, disadvantages and
limitations
 Guiding the students to get an overview of various interdisciplinary research topics
ranging from materials synthesis to their properties and applications
 The module will provide a knowledge basis and orientation for the students to choose
from the various elective courses offered within the Focal Point Functional Materials;
students communicate and discuss with active scientists (e.g. ''colloquia'', guest lectures).
Content
 A series of topics in the field of Functional Materials are covered by this overarching
module. The team teaching covers topics that bridge chemistry and processing of
materials for technological applications with an emphasis on solid state materials.
Examples are drawn from industrial practice in semiconductor manufacturing, protective
coatings, energy generation and storage, to emerging technologies such as batteries,
sensors, electronic devices, antifouling coatings etc.
 The detailed contents of this module will be composed from selected research areas
currently including the following:
 Semiconductor, electronic and optoelectronic materials: processing and application
 Mesoporous materials for catalysis and sensors
 Protective coatings
 Materials for energy conversion and electrochemical sensing
Teaching methods
Lecture with seminars
Mode of assessment
End-of-term written exam
Requirement for the award of credit points
Passing the written examination
Module applicability
Chemistry (Master)
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Anjana Devi, Axel Rosenhahn, Ferdi Schüth, Kristina Tschulik
Further information

38
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth practical: Solid State and Material Synthesis

Module Credits Workload Term Frequency Duration
5.3 7.5 CP 225 h 1st to 3rd WS and SoS 6 Weeks
Sem.
Courses Contact Self-Study Group size
Analytical Methods in Inorganic hours 65 h Individual
Chemistry (Lab practical) 160 h

Prerequisites
Basic Understanding of general chemistry, inorganic and materials chemistry and analytical
methods
Learning outcomes
After successful completion of this practical, the students

- will be able to independently apply or transfer materials synthesis skills and methods to
other scientific contexts which may be connected with or dependent on materials
chemistry.
- Hands-on experience in performing selected material synthesis via solid state, vapor phase
or wet chemical routes frequently used in inorganic materials chemistry
- A practical understanding of materials synthesis and material analysis
- Analyze and professionally report / document analytical data
Content
In this lab practical, the students will further develop the experimental skills at an advanced level
and introduces modern materials processing techniques closely related to the various research
areas of the scientific supervisor (guided by PhD or Postdoc). The student will be trained in
critical thinking and evaluation of obtained data related to challenges in materials synthesis and
characterisation. After completion of the module, the student will be able to independently apply
or transfer these skills and methods to other scientific contexts which may be connected with or
dependent on materials chemistry.
Teaching methods
Lab practical
Mode of assessment
Written report, typically in the form of a scientific publication and oral presentation
Requirement for the award of credit points
Active participation in lab work, successful completion of written report and oral presentation
Module applicability
Master Chemistry
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
Ulf-Peter Apfel, Lars Borchardt, Anjana Devi
Further information

39
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Research Practical: Functional Materials

Module Credits Workload Term Frequency Duration
5.4 15 CP 450 h 3rd Sem. WS and SoS 3 Months
Courses Contact Self-Study Group size
Functional Materials hours 130 h Individual
(Lab practical) 320 h

Prerequisites
Advanced Understanding of Materials Chemistry, including synthesis and analytical methods
Learning outcomes
After successful completion of this practical, the students have
- advanced expertise in materials chemistry, including synthesis, analytical or
computational methods as applicable to the project
- a good practical understanding of materials chemistry

The students are able to

- select suitable material systems to address a given problem
- select suitable methods and plan their research to solve the given problem
- execute their research under supervision of a mentor
- professionally analyze and document their data according to the established scholarly
standards in materials chemistry
Content
The research practical will be performed as part of an ongoing research project, forming by itself
a small independent project. Content will include a literature search, identification, and
application of suitable methods (e.g., materials synthesis, analytical techniques), and independent
execution of the work, in close interaction with the supervisor / mentor. The research topic will
be in the scientific project of the supervisor.
Teaching methods
Lab practical
Mode of assessment
Written report, typically in the form of a project proposal or manuscript and oral presentation
Requirement for the award of credit points
Active participation in lab work, successful completion of written report and oral presentation
Module applicability
Master Chemistry, master of engineering
Weight of the mark for the final score
Weighted according to CP
Module coordinator and lecturer(s)
Ulf-Peter Apfel, Lars Borchardt, Anjana Devi
Further information

40
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Organische und Bioorganische Chemie

Enzyme Catalysis In Organic Chemistry: White Biotechnology

Module Credits Workload Term Frequency Duration
6.1 5 CP 120 h semester 1-3 Every 2nd 1 semester
summer
semester
Courses Contact hours Self-Study Group size
Enzyme Catalysis In Organic Chemistry: 3 SWS 100 h 20 students
White Biotechnology
Prerequisites
Knowledge of basic organic chemistry and biochemistry
Learning outcomes
Students will gain a broad overview of biotechnology in chemical synthesis, with
particular emphasis on enzyme engineering methods and strategies.
Teaching methods
Offered as hybrid lecture (lecture hall / Zoom) with supporting materials provided via moodle.
Mode of assessment
Oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Elective Lecture I-VI
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Frank Schulz
Further information
Textbooks: K. Faber, Biotransformations in Organic Chemistry, M. T. Reetz: Directed Evolution
of Selective Enzymes: Catalysts for Organic Chemistry and Biotechnology

41
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Metabolomics for the discovery of new natural products and biomarkers

Module Credits Workload Term Frequency Duration
6.2 5 CP 120 h semester 1-3 1/year 1 semester
Courses Contact hours Self-Study Group size
Metabolomics for the discovery of new 3 SWS 100 h 20 students
natural products and biomarkers
Prerequisites
Knowledge of basic analytical and organic chemistry, basic biochemistry
Learning outcomes
Students acquire a broad overview upon instrumental analytics for the identification of
natural products and biomarkers for various diseases.
Teaching methods
Offered as hybrid lecture (lecture hall / Zoom) with supporting materials provided via moodle.
Mode of assessment
Oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Elective Lecture I-VI
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Frank Schulz
Further information
The lecture will be based on review articles, selected book chapter and current primary research
publications.

42
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Organofluorine Chemistry
Module Credits Workload Term Frequency Duration
6.3 5 CP 120 h 2. Sem. each SoS 1 Semester
Courses Contact hours Self-Study Group size
a) Lecture 2 + 1 SWS 75 h 20 Students
b) Exercises
Prerequisites
None. Ideally: knowledge of basic methods for organic transformations.
Learning outcomes
Students will acquire a broad overview of organofluorine chemistry. After completion of the course,
students will know all fundamental approches toward the synthesis of organofluorine compounds and will
be able to independently devise synthetic routes and solve corresponding problems. Students will also be
able to interpret the sometimes unusual reactivity of organofluorine components and to analyze the
influence of fluorine substituents in organic molecules. In addition to textbook knowledge, current
publications in the field will also repeatedly be included in the lecture.
Content History of organofluorine chemistry, Sources of fluorine

Synthesis of - fundamental fluorine reagents

organofluorine - direct (per)fluorination, electrochemical fluorination
compounds - nucleophilic and “electrophilic” fluorination
- synthesis of fluoroarenes
- conversion of functional groups

Properties and - C-F bond: fundamentals

structures of - steric effects
organofluorine - physic-chemical properties
compounds - Bent’s rule and special fluorine effect
- dipol interactions, intramolecular interactions
- analytics: 19F-NMR
- acidities
- fluorine substituents as pi-donors

Reactivity of - fundamental considerations

organofluorine - perfluorocarbons and substituted perfluorocarbons, fluorinated alkanes
compounds - per- and polyfluoroolefins
- fluoroarenes: SNAr and ortho metalation
- C-F activation and polyfluoroarenes in cross-coupling reactions (C-H activation)
- fluorinated enol ethers and analogues
Applications
- fluorous biphase catalysis
- pharmaceuticals
Teaching methods
Blackboard and Powerpoint, online videos, discussion of recent research papers
Mode of assessment
Written exam (90 min)
Requirement for the award of credit points
Passing of final written examination
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
according to credit points
Module coordinator and lecturer(s)
S. Huber
Further information
43
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Supramolecular Chemistry
Module Credits Workload Term Frequency Duration
6.4 5 CP 120 h 1./3. Sem. each WS 1 Semester
Courses Contact hours Self-Study Group size
a) Lecture 2 + 1 SWS 75 h 20 Students
b) Exercises
Prerequisites
None. Ideally: knowledge of basic methods for organic transformations.
Learning outcomes
Students will acquire a broad overview of supramolecular chemistry. After completion of the course, students will be
aware of all relevant concepts in supramolecular chemistry and will be able to identify them independently.
Participants will also study all relevant noncovalent interactions, including their electronic origin, their
manipulation and their limitations. On the basis of the most common structural motifs, cation binders, anion
binders and neutral molecule binders will be discussed. Students will be aware of the fundamentals of self-assembly
as well as of its most important applications. Finally, participants will be able to interpret the use of non-covalent
interactions in organocatalysis. In addition to textbook knowledge, current publications in the field will also
repeatedly be included in the lecture.
Content
Definition, history
Concepts - Lock & key, induced fit - binding constants
- cooperativity / chelate effect - preorganization / complementarity, selectivity

Noncovalent - ion pairing, ion-dipole, dipole-dipole

Interactions - hydrogen bonding, halogen bonding, further closed-shell interactions
- cation- -
- van-der-Waals interactions, solvation and hydrophobic effect, entropy
Fundamental - high-dilution synthesis
Techniques - template synthesis
Cation Binding - crown ethers, lariat ethers
- cryptands, Spherands
- calixarenes
Anion Binding - recognition by electrostatics
- recognition by electrostatics and hydrogen bonding
- recognition by hydrogen bonding - recognition by Lewis acids, core motifs
Neutral Guest - recognition by hydrogen bonding
Binding - recognition by hydrophobic effect
Self-Assembly - rotaxanes - catenanes, knots - capsules
Applications in - reactions in confined space (capsules) - noncovalent organocatalysis
Catalysis - self-replication, noncovalent catalyst assembly, “classical” supramolecular catalysis

Teaching methods
Blackboard and Powerpoint, online videos, discussion of recent research papers
Mode of assessment
Written exam (90 min)
Requirement for the award of credit points
Passing of final written examination
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
according to credit points
Module coordinator and lecturer(s)
S. Huber
Further information

44
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Organic Synthesis I: Stoechiometric Organometallics

Module Credits Workload Term Frequency Duration
6.5 5 CP 120 h semester 1-3 every semester 1 semester
Courses Contact Self-Study Group size
Organic Synthesis II: Stoechiometric hours 100 h 20 students
Organometallics 3 SWS

Prerequisites
Knowledge of basic organic reactions.
Learning outcomes
Students acquire a broad overview upon applications of stoechiometric organometallic
reagents, focussing on selectivities connected with various metals.
Content
HSAB-concept in organometallic synthesis; endocyclic restriction test; DOM reactions, organometallic
reagents based on lithium, magnesium, zink, titanium, boron and copper; stereoselective reactions with
organometallic reagents.
Teaching methods
Offered as e-learning module; Link: [Link]
Mode of assessment
Oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Elective Lecture I-VI
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Gerald Dyker
Further information

45
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Organic Synthesis II: Catalytic Organometallics

Module Credits Workload Term Frequency Duration
5 CP 120 h semester 1-3 every semester 1 semester
6.6
Courses Contact hours Self-Study Group size
Organic Synthesis II: Catalytic 3 SWS 100 h 20 students
Organometallics
Prerequisites
Knowledge of basic organic reactions.
Learning outcomes
Students acquire a broad overview upon applications for homogeneous transition metal catalysis.
Content
Key steps in catalytic cycles; Heckreaction and other Pd-catalyzed domino processes, catalytic activities of
Au-, Co-, Cu-, Fe-, Mn-, Ni-, Rh-, Ru- and Lanthanoid-complexes.
Teaching methods
Offered as e-learning module; Link: [Link]
Mode of assessment
Oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Elective Lecture I-VI
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Gerald Dyker
Further information

46
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Organic Synthesis III: Designing Organic Syntheses

Module Credits Workload Term Frequency Duration
6.7 5 CP 150 h semester 1-3 every semester 1 semester
Courses Contact hours Self-Study Group size
Organic Synthesis III: Designing Organic 3 SWS 100 h 20 students
Syntheses
Prerequisites
Knowledge of basic organic reactions.
Learning outcomes
 Knowledge of the retron concept
 Ability to identify strategic bonds
 Ability to develop a synthesis plan for target molecules with medium complexity.
Content
Key expressions of retrosynthesis: strategic bonds, synthon, synthetic equivalent, retron, bidirectional
synthesis, linear and konvergent synthesis plan. Typical structural units in retrosynthetic analysis such as
1,n-dicarbonyl compounds and hetarenes; exercises in developing strategies for synthesis of target
molecules.
Teaching methods
Offered as e-learning module; Link: [Link]
Mode of assessment
Oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Elective Lecture I-VI
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Gerald Dyker
Further information

47
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Concepts of Molecular Chemistry I: Physical Organic Chemistry

Module Credits Workload Term Frequency Duration
6.8 5 CP 150 h 1., 3. Sem. WS 1 Semester
Courses Contact Self-Study Group size
a) Lecture hours 105 h 30 Students
b) Exercises a)2 SWS /
30 h
b)1 SWS /
14 h

Prerequisites

Learning outcomes
 Students acquire advanced knowledge on the theory and techniques of the basic concepts
of physical organic chemistry such as bond models, thermochemistry, and the theoretical
evaluation of properties of experimental interest, in particular the theory of potential energy
reaction surfaces. The main focus lies on the interplay between theoretical and
experimental methods.
 Students learn to read and understand advanced selected scientific publications in the topic
of physical organic chemistry, how to summarize the publication in an abstract, and to
present the essentials of the publication in an oral presentation using presentation software
(15 min + 5 min discussion).
Content
- The covalent chemical bond (properties, experimental methods)
- The non-covalent chemical bond (van der Waals complexes, hydrogen bonds,
supramolecular chemistry, peptides)
- Thermochemistry (properties, Benson’s additivity rules)
- Potential energy surfaces (internal coordinates, Born Oppenheimer approximation,
stationary points, reaction coordinates, Marcus theory, Curtin Hammett principle, More
O’Ferral-Jencks diagrams, reactivity and selectivity, tunneling)
- Force field calculations (MM2)
- Linear free energy relations
- Experimental techniques (matrix isolation)
Teaching methods
Lecture, seminar based teaching with active participation of the student
Mode of assessment
30 min end-of-term oral exam or 2-hour end-of-term written exam
Requirement for the award of credit points
Successful oral presentation, passing the exam
Module applicability

Weight of the mark for the final score

Module coordinator and lecturer(s): W. Sander
Further information

48
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Modern Organotransition metal catalysis

Module Credits Workload Term Frequency Duration
6.9 5 CP 150 h 2./4. Sem. nur SS 1 Semester
Courses Contact Self-Study Group size
a) lecture hours 100 h 10 students
b) exercise 2+1 SWS
Prerequisites
-
Learning outcomes
 students aquire knowledge on the theory of transition metal catalysed coupling reactions
and their mechanistic principles
Content
 Cross-coupling reactions and their elementary catalytic steps
 Catalytic activation of C-O bonds, C-C bonds and C-H bonds: mechanistic approaches,
selected examples, synthetic applications.
 Catalytic functionalization of alkenes.
Teaching methods
b) lecture b) exercise
Mode of assessment
Oral exam (30 min) after the module
Requirement for the award of credit points
Passing the exam
Module applicability
M. Sc. Chemistry
Weight of the mark for the final score
Module coordinator and lecturer(s) Prof. Dr. Lukas Gooßen
Further information

49
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Organocatalysis

Module Credits Workload Term Frequency Duration
6.10 8 CP 240 h 1., 2. Sem. Every semester 1 Semester
Courses Contact Self-Study Group size
In-depth Practical: Organocatalysis hours 105 h Max 3 students
9 SWS

Prerequisites

Learning outcomes
 Students acquire advanced knowledge on the theory and techniques of the basic concepts
of Supramolecular Chemistry
 Students learn to write a detailed lab report on the topic and experimental results of the
practical
 Students learn scientific work under the guidance of teaching assistants, teamworking in
collaboration while carrying out experiments, general knowledge of software and of
necessary lab equipment.
Content
- Students will mostly perform various organic syntheses, including ones under inert-
gas conditions. This comprises literature-known protocols and unpublished methods
developed within the group. They will also test new approaches to synthetic problems.
Compounds will be characterized by the usual means, including NMR and mass
spectroscopy. Binding constants will be obtained via NMR and ITC titrations, and
catalyst performance will be judged by obtaining reaction kinetics on model reactions.
Teaching methods
Practical under guidance of research assistent
Mode of assessment
Active participation in practical, feedback during the experiments, feedback on written lab reports
by teaching assistant.
Requirement for the award of credit points
All experimets are completed successfully and written up satisfactorily in a lab report
Module applicability

Weight of the mark for the final score

Module coordinator and lecturer(s)
S. Huber
Further information

50
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Supramolecular Chemistry

Module Credits Workload Term Frequency Duration
6.11 8 CP 240 h 1., 2. Sem. Every semester 1 Semester
Courses Contact Self-Study Group size
In-depth Practical: Supramolecular hours 105 h Max 3
Chemistry 9 SWS Studierende
Prerequisites

Learning outcomes
 Students acquire advanced knowledge on the theory and techniques of the basic concepts
of Supramolecular Chemistry
 Students learn to write a detailed lab report on the topic and experimental results of the
practical
 Students learn scientific work under the guidance of teaching assistants, teamworking in
collaboration while carrying out experiments, general knowledge of software and of
necessary lab equipment.
Content
- Students will mostly perform various organic syntheses, including ones under inert-
gas conditions. This comprises literature-known protocols and unpublished methods
developed within the group. They will also test new approaches to synthetic problems.
Compounds will be characterized by the usual means, including NMR and mass
spectroscopy. Binding constants will be obtained via NMR and ITC titrations, and
catalyst performance will be judged by obtaining reaction kinetics on model reactions.
Teaching methods
Practical under guidance of research assistant
Mode of assessment
Active participation in practical, feedback during the experiments, feedback on written lab reports
by teaching assistant.
Requirement for the award of credit points
All experiments are completed successfully and written up satisfactorily in a lab report
Module applicability

Weight of the mark for the final score

Module coordinator and lecturer(s)
S. Huber
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Metal-Organic Chemical Synthesis

Module 6.12 Credits Workload Term Frequency Duration
8 CP 240 h semester 1-3 every semester 8 weeks
Courses Contact Self-Study Group size
In-depth Practical: Metal-Organic Chemical hours 40 h 2 students
Synthesis 25 SWS

Prerequisites
Knowledge of basic methods for organic transformations. Recommendation: successful participation
in lectures Stoechiometric Organometallics and Catalytic Organometallics
Learning outcomes
 Performing preparative experiments, including organometallics and special techniques
like Kugelrohr distillation and medium pressure automatic chromatography
 Interpreting observations and results
 Writing presentations of own scientific results
Content
Synthesis of target molecules within the context of a current research project.
Teaching methods
Practical lab course within research projects
Mode of assessment
Rating of the protocol and of the performance in the lab
Requirement for the award of credit points
Active participation in practical, feedback during the experiments, written lab report, presentation of the
experimental results, submitting a satisfactory protocol
Module applicability
In-depth Practical I-III
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Gerald Dyker
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-Depth Practical: "Semi-Synthesis Of Natural Products"

Module Credits Workload Term Frequency Duration
6.13 8 CP 240 h semester 1-3 1/year 8 weeks
Courses Contact Self-Study Group size
In-Depth Practical: "Semi-Synthesis Of hours 40 h 2 students
Natural Products" 25 SWS
Prerequisites
Knowledge of basic methods for organic transformations. Recommendation: successful participation
in practicals: OC F.
Learning outcomes
 Performing preparative experiments towards the synthesis of natural products derivatives
or related synthesis targets
 Interpreting observations and results
 Writing presentations of own scientific results
Content
Synthesis of target molecules within the context of a current research project.
Teaching methods
Practical lab course within research projects
Mode of assessment
Rating of the protocol and of the performance in the lab
Requirement for the award of credit points
Active participation in practical, feedback during the experiments, written lab report, presentation of the
experimental results in the group, submitting a satisfactory protocol
Module applicability
In-depth Practical I-III
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Frank Schulz
Further information

53
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-Depth Practical: "Natural Products Chemistry and Biochemistry"

Module Credits Workload Term Frequency Duration
6.14 8 CP 240 h semester 1-3 1/year 8 weeks
Courses Contact Self-Study Group size
In-Depth Practical: "Natural Products hours 40 h 2 students
Chemistry and Biochemistry " 25 SWS

Prerequisites
Knowledge of basic methods from organic chemistry or biochemistry and analytical chemistry
Learning outcomes
 HPLC and mass spectrometry for the identification of natural products
 Statistical data interpretation in the framework of metabolomics
 Interpreting observations and results
 Writing presentations of own scientific results
Content
Biosynthesis, isolation and characterization of target molecules within the context of a current research
project.
Teaching methods
Practical lab course within research projects
Mode of assessment
Rating of the protocol and of the performance in the lab
Requirement for the award of credit points
Active participation in practical, feedback during the experiments, written lab report, presentation of the
experimental results in the group, submitting a satisfactory protocol
Module applicability
In-depth Practical I-III
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Frank Schulz
Further information

54
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-Depth Practical: "Fermentation of Natural Products"

Module Credits Workload Term Frequency Duration
6.15 8 CP 240 h semester 1-3 1/year 8 weeks
Courses Contact Self-Study Group size
In-Depth Practical: "Fermentation of Natural hours 40 h 2 students
Products" 25 SWS

Prerequisites
Knowledge of basic methods from organic chemistry or biochemistry
Learning outcomes
 Fermentation of microorganisms
 Isolation of natural products from fermentation broths or harvested cells
 Interpreting observations and results
 Writing presentations of own scientific results
Content
Biosynthesis, isolation and characterization of target molecules within the context of a current research
project.
Teaching methods
Practical lab course within research projects
Mode of assessment
Rating of the protocol and of the performance in the lab
Requirement for the award of credit points
Active participation in practical, feedback during the experiments, written lab report, presentation of the
experimental results in the group, submitting a satisfactory protocol
Module applicability
In-depth Practical I-III
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
Frank Schulz
Further information

55
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In depth practical „Organotransition metal catalysis“

Module Credits Workload Term Frequency Duration
6.16 8 CP 240 h 2./4. Sem. By appoitment 1 Semester
Courses Contact Self-Study Group size
a) practical hours 100 h 3 students
9 SWS

Prerequisites

Learning outcomes
 students acquire experience in practical organic and metal-organic labwork and associated
techniques of analysis and spectroscopical methods
Content
 Syntheses in the field of organometallic chemistry;
 Handling of air sensitive compounds
 Hands-on work with analytical methods such as GC, GC-MS, NMR
 Mechanism evaluation by e. g. deuteration experiments
 study of catalytic processes
Teaching methods
c) Practical lab course
Mode of assessment
active participation in practical, feedback during and on the experiments, feedback on written lab
reports
Requirement for the award of credit points
successful performance of experiments in the lab and satisfactorily written lab reports
Module applicability
M. Sc. Chemistry
Weight of the mark for the final score
Module coordinator and lecturer(s) Prof. Dr. Lukas Gooßen
Further information

56
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Physical Chemistry

Biophysical Chemistry I
Module Credits Workload Term Frequency Duration
7.1 5 CP 150 h 2. Semester SS 1 Semester
Courses Contact Self-Study Group size
a) Biophysical Chemistry I hours 90 h 30 Students
4 SWS, 60 h
Prerequisites
Knowledge in basic Physical Chemistry.
Learning outcomes
After successful completion of the module/course, students will be able to:
 Acquire advanced knowledge in experimental techniques in biophysical chemistry with a
focus on structure determining methods.
 Understand their applications, advantages, and disadvantages of the methods
 Analyze and screen relevant literatures independently
 Develop presentation skills in front of an audience
 Utilize digital techniques to prepare and conduct a presentation
Content
Advanced Biophysical techniques:
 Protein structures
 Molecular interactions
 Computational approaches
 X-ray diffraction
 Calorimetry techniques
 Fluorescence theory, FRET
 Super-resolution microscopy
Teaching methods
Lecture (2 SWS, 30 h), Exercise (1 SWS, 15 h), Seminar (1 SWS, 15 h).
Mode of assessment
Participation in all seminars and presentation about an assigned publication.
Written exam of 60 mins.
Requirement for the award of credit points
Pass both parts: presentation (50%) and written exam (50%).
Module applicability
[Link]. Chemistry, [Link]. Biochemistry.
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
Lecturers from Physical Chemistry departments.
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Biophysical Chemistry II
Module 7.2 Credits Workload Term Frequency Duration
5 CP 150 h 3. Semester WS 1 Semester
Courses Contact Self-Study Group size
a) Biophysical Chemistry II hours 90 h 30 Students
4 SWS, 60 h
Prerequisites
Knowledge in basic Physical Chemistry.
Learning outcomes
After successful completion of the module/course, students will be able to:
 Acquire advanced knowledge in experimental methods in the investigation of dynamics and
thermodynamics of proteins and membranes, and on protein reaction and function based
on selected examples
 Understand their applications, advantages, and disadvantages of the methods
 Analyze and screen relevant literatures independently
 Develop presentation skills in front of an audience
 Utilize digital techniques to prepare and conduct a presentation
Content
Advanced Biophysical techniques:
 Microcalorimetry in protein characterization
 Fluorescence-based methods in protein interactions
 Advanced fluorescence microscopy
 Fourier transform spectroscopy
 Attenuated total reflection (ATR) spectroscopy
 Vibrational spectroscopy in biomolecular solvation
 Scanning probe microscopy (SPM) in biochemistry
Teaching methods
Lecture (2 SWS, 30 h), Exercise (1 SWS, 15 h), Seminar (1 SWS, 15 h).
Mode of assessment
Participation in all seminars and presentation about an assigned publication.
Written exam of 60 mins.
Requirement for the award of credit points
Pass both parts: presentation (50%) and written exam (50%).
Module applicability
[Link]. Chemistry, [Link]. Biochemistry.
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
Lecturers from Physical Chemistry departments.
Further information

58
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Concepts of Spectroscopy 1
Module Credits Workload Term Frequency Duration
7.3 5 CP 150 h 1. Semester Each WS 1 Semester
Courses Contact hours Self-Study Group size
a) Lectures a) 2 SWS 105 h a+b) 20 - 50
b) Exercises b) 1 SWS
Prerequisites
Basic knowledge in quantum chemistry, quantum mechanics, spectroscopic techniques and the
necessary mathematical formalism
Learning outcomes
After successful completion of the module/course, students will be able to:
 Obtain theoretical and practical knowledge of modern linear and nonlinear spectroscopic
methods (time- and frequency-domain) which allow for the elucidation of molecular
structure and dynamics in different environments
 Understand applications of laser spectroscopic techniques from the THz to the VUV
wavelength region to the study of molecules and their interactions
Content
1. Electromagnetic radiation, molecular structure, light-matter interaction
2. Optical and spectroscopic elements
3. Line broadening mechanisms, spectral bandwidth, Fourier transformation
4. Molecular symmetry, point groups, molecular symmetry groups
5. Rotational spectroscopy: linear, symmetric, spherical, and asymmetric rigid rotor molecules,
rotational infrared, millimeter, microwave and Raman spectra
6. Vibrational spectroscopy: diatomic and polyatomic molecules, infrared and Raman spectra,
vibrational selection rules, normal mode analysis
7. Electronic spectroscopy: diatomic and polyatomic molecules, electronic and vibronic
selection rules, Franck-Condon transitions, intramolecular nonradiative processes (internal
conversion, intersystem crossing), curve crossings and conical intersections
8. Laser basics, population inversion and gain mediums, cavity modes, properties of coherent
radiation, specific laser systems
9. Introduction to nonlinear spectroscopy
Teaching methods
Active participation during lectures and exercises with problems for self-studying, Q&A and
discussion sessions with presentations given by the participants, Moodle course with online
material
Mode of assessment
2-hour end-of-term written exam on the content of the lectures
Requirement for the award of credit points
Passing the written examination
Module applicability
[Link]. Chemistry; [Link]. iMOS; [Link]. Lasers and Photonics
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
P. Petersen
Lecturers from Physical Chemistry departments
Further information

59
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Concepts of Spectroscopy 2
Module Credits Workload Term Frequency Duration
7.4 5 CP 150 h 2. Semester Each SuSe 1 Semester
Courses Contact hours Self-Study Group size
a) Lectures a) 2 SWS 105 h a+b) 20 - 50
b) Exercises b) 1 SWS
Prerequisites
Advanced knowledge in quantum chemistry, quantum mechanics and spectroscopic techniques,
such as provided by the modules Concepts of Spectroscopy 1 and Dynamics and Simulation.
Learning outcomes
After successful completion of the module/course, students will be able to:
 Obtain theoretical and practical knowledge of nonlinear optics important for non-linear
spectroscopic and microscopic techniques to investigate structure, dynamics and interactions
of chemical and biochemical samples
 Develop presentation skills in front of an audience
 Utilize digital techniques to prepare and conduct a presentation
Content
10. Principles of non-linearity: Electromagnetic waves in vacuum and in matter, Non-linear
responses, Anharmonic oscillator model, Phase matching, Higher order processes
11. Non-linear spectroscopy techniques: SFG, SHG, Time-resolved spectroscopy
12. Non-linear microscopy techniques: Confocal microscopy, Fluorescence microscopy, Super-
resolution microscopy, Multi-photon microscopy methods, Scanning methods.
Teaching methods
Active participation during lectures and exercises with problems for self-studying, Q&A and
discussion sessions with presentations given by the participants, Moodle course with online
material.
Mode of assessment
20 - 40 min end-of-term oral exam or 2-hour end-of-term written exam on the content of the
lectures
Requirement for the award of credit points
Passing the written examination
Module applicability
[Link]. Chemistry; [Link]. iMOS; [Link]. Lasers and Photonics
Weight of the mark for the final score
Weighted according to CPs
iMOS: CP-weighted average of the exam (5 CP) and the lab report (4 CP) grades according to the
examination regulations
Module coordinator and lecturer(s)
P. Petersen
Lecturers from Physical Chemistry departments
Further information

60
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Compact course “Laser and Optics”

Module Credits Workload Term Frequency Duration
7.5 5 CP 150 h 1. Semester WS 1 Semester
Courses Contact hours Self-Study Group size
a) Compact course “Laser and Optics” 6 SWS, 75 h 75 h 12 Students
Prerequisites
Knowledge in basic Physical Chemistry and Physics.
Learning outcomes
After successful completion of the module/course, students will be able to:
 Acquire advanced knowledge in laser and optics
 Analyze and evaluate the experimental results
 Write reports with theories, experiments, and discussion of results
 Analyze and screen relevant literatures independently
 Develop skills in handling lab setups, measurements
 Develop presentation skills in front of an audience
 Utilize digital techniques to prepare and conduct a presentation
 Utilize teamwork in lab work, preparing presentation, and writing report
Content
Lectures and exercises on topics: laser, polarization, Fourier transformation, spectroscopy, basic
optics, Gaussian optics, nonlinear optics.
Lab work, handling, and measurements of experimental systems: beam alignment,
interferometer, polarization, spectrometer.
Teaching methods
Lecture (2 SWS, 25 h), Exercise (0,5 SWS, 5 h), Seminar (0,5 SWS, 5 h), Lab work (3 SWS, 40 h).
Compact course in two week (Mo-Fr) and one seminar day in the following week.
Mode of assessment
Active participation during lectures, exercises, seminar, and lab work.
Presentation and report about the lab work and experimental results.
Requirement for the award of credit points
Pass both parts: presentation (50%) and report (50%) about the lab work and experimental
results.
Module applicability
[Link]. Chemistry, [Link]. Biochemistry, PhD Chemistry.
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
M. Havenith-Newen, P. Petersen.
Further information

61
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Compact Course "Scanning Probe Microscopy"

Module Credits Workload Term Frequency Duration
7.6 5 CP 150 h 1., 3. Sem WS 3 weeks
Courses Contact hours Self-Study Group size
Compact Course "Scanning Probe a) 18 h 65 h 15 Students
Microscopy" b) 32 h
c) 5 h
Prerequisites
Knowledge in basic Physical Chemistry.
Learning outcomes
After participating in the scanning probe microscopy (SPM) compact course the students
- are familiar with the basics of scanning probe microscopy.
- are familiar with the functionality of different SPM techniques.
- have an overview of applications of scanning probe microscopy.
After participating in the SPM compact course the students are able to
- process and analyze SPM data in a proper way.
- perform AFM and STM measurements with commercial microscope systems.
- recognize imaging artifacts in SPM images.
- present results of an individual experimental SPM project (12 hours) in a short talk.
Content
Quantum mechanical tunneling effect; basics of scanning tunneling microscopy (STM) and
atomic force microscopy (AFM); functionality of different SPM imaging techniques; image
processing and imaging artifacts; preparation of STM tips; spectroscopic measurements with an
STM; STM and AFM measurements of oxides and biological samples; sample preparation in
ultra high vacuum; digression scanning electron microscopy (SEM); combined SEM/STM
measurements; manipulation with an SPM
Teaching methods
(a) lecture (b) practical exercises (c) seminar
Mode of assessment
Oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
Lecturers from Physical Chemistry departments.
Further information
The registration for the SPM compact course is necessary.

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth practical: Laser spectroscopy in clusters, liquids and interfaces

Module Credits Workload Term Frequency Duration
7.7 8 CP 240 h 1. & 2. Sem. WS, SS 1 Semester
Courses Contact hours Self-Study Group size
a) In-depth practical: Laser spectroscopy in 8 SWS, 120 h 120 h
clusters, liquids and interfaces
Prerequisites
Knowledge in basic Physical Chemistry.
Learning outcomes
After successful completion of the module/course, students will be able to:
 Acquire advanced knowledge in laser safety issues and laser spectroscopic techniques
 Carry out supervised laser experiments on molecular clusters, on liquids, or on interfaces
 Obtain general knowledge of necessary lab equipment
 Visualize and present results orally and in written form
 Write reports with theories, experiments, and discussion of results in adequate manner
 Utilize digital techniques to analyze and evaluate the data and for graphical presentation
 Develop teamwork skills and collaboration while carrying out hands on experiments
Content
In this practical, an experiment chosen from the research fields available in the Havenith’s group
will be carried out. The student summarizes his findings independently in a written report.
Included topics:
1. Laser safety: laser classes, risks, and protection measures
2. Selection of experimental methods:
 Spectroscopy in helium nanodroplets
 THz spectroscopy of liquid and solid phases using a Fourier transform spectrometer
 THz time-domain spectroscopy
3. Selection of topics
 Vacuum techniques
 Dealing with ultracold gases (e.g. liquid helium and nitrogen)
 Leak detection
 Mass spectrometry
 Laser technology: OPO, diode laser, or femto second laser
 Generation of THz radiation
 Wavelength dependent: appropriate detector elements
 Phase sensitive signal detection (lock-in techniques, modulation techniques)
Teaching methods
Hands-on lab course (8 hours per week per module).
Mode of assessment
Active participation in practical, feedback during and on the experiments, feedback on written lab
reports by teaching assistants.
Requirement for the award of credit points
All experiments are completed successfully and written up satisfactorily in a lab report.
Module applicability
[Link]. Chemistry.
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
M. Havenith-Newen, G. Schwaab.
Further information

63
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Nanoscale surface characterization

Module Credits Workload Term Frequency Duration
7.8 8 CP 240 h [Link] 3. Sem Every semester 5 weeks
Courses Contact hours Self-Study Group size
In-depth Practical: Nanoscale surface up to 40 h 40 h 1 Student
characterization per week
Prerequisites
Physical Chemistry I to IV.
Learning outcomes
Students acquire a knowledge about different methods used in physical chemistry and their
applications
Content
scanning probe methods, photoelectron spectroscopy, low energy electron diffraction, electron
energy loss spectroscopy
Teaching methods
practical
Mode of assessment
Report
Requirement for the award of credit points
Performing experiments and the report
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
Lecturers from Physical Chemistry departments.
Further information
possible start independent of lecture schedule; length in weeks depends on availability of student
during week

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Fluorescence microscopy and spectroscopy

Module Credits Workload Term Frequency Duration
7.9 8 CP 240 h [Link] 3. Sem Every semester 6 weeks half time
or equivalent
Courses Contact hours Self-Study Group size
In depth practical Fluorescence microscopy 8h 120 h 1 Student
and spectroscopy
Prerequisites
Knowledge of basic spectroscopy principles
Learning outcomes
After successful completion of the module/course, students will have:
 Acquired advanced knowledge in fluorescence-based methods
 Carried out supervised microscopy and spectroscopy experiments of fluorescent samples
 Obtained general knowledge on different types of fluorophores and spectral ranges (visible,
near infrared)
 Analyzed data (spectra/images) with standard software and Python-based scripts
 Written reports and interpreted data with respect to the current literature
Learned to discuss with group members and assess the scientific advance or limitations of
experimental approaches and results
Content
Laser safety; Principles of fluorescence spectroscopy and microscopy; preparation of fluorescent
samples; chemical modification of fluorophores; image and spectral image processing
techniques.
Teaching methods
Hands on lab course of current research topics
Mode of assessment
Written lab report
Requirement for the award of credit points
Active participation in lab course and successful summary of the lab course results.
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
S. Kruss
Further information

65
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Nanomaterials and Biointerfaces

Module Credits Workload Term Frequency Duration
7.10 8 CP 240 h [Link] 3. Sem Every semester 6 weeks half time
or equivalent
Courses Contact hours Self-Study Group size
In depth practical Nanomaterials and 8h 120 h 1 Student
Biointerfaces
Prerequisites
Knowledge of chemical conjugation techniques and basic spectroscopy
Learning outcomes
After successful completion of the module/course, students will have:
 Acquired advanced knowledge in synthesis and assembly of fluorescent nanomaterials
 Prepared nanomaterials and modified their surface using biofunctionalization techniques
 Carried out microscopy or spectroscopy experiments with these samples
 Obtained general knowledge on the interplay between surface chemistry and photophysics
 Analyzed data (spectra/images) with standard software and Python-based scripts
 Written reports and interpreted data with respect to the current literature
Learned to discuss with group members and assess the scientific advance or limitations of
experimental approaches and results
Content
Preparation of fluorescent nanomaterials; optical characterization techniques (absorption
spectroscopy, fluorescence spectroscopy, Raman spectroscopy); surface chemistry approaches;
biofunctionalization techniques; spectral data processing techniques.
Teaching methods
Hands on lab course of current research topics
Mode of assessment
Written lab report
Requirement for the award of credit points
Active participation in lab course and successful summary of the lab course results.
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
S. Kruss
Further information

66
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth practical: Chemical Microscopy of Surfaces and Biomaterials

Module Credits Workload Term Frequency Duration
7.11 8 CP 240 h 1., 2. Sem Every semester 6 weeks half time
or equivalent
Courses Contact hours Self-Study Group size
In-depth Practical: I - III 8h 120 h ~ 1-3 Students

Prerequisites
Knowledge of basic spectroscopic and data evaluation techniques.
Learning outcomes
Students acquire knowledge on how to prepare samples, how to investigate them with Raman
microscopic techniques and how to analyse the image and spectral data acquired.
Content
Laser safety; Principles of confocal Raman microscopy; preparation of chemical and/or biological
samples; data acquisition techniques; estimates of data quality; image and spectral image
processing techniques.
Teaching methods
hands on lab course
Mode of assessment
Written lab report
Requirement for the award of credit points
Active participation in lab course and successful summary of the lab course results.
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
Lecturers from Physical Chemistry departments.
Further information

67
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Research Practical in the Focal Point Programme “Physical Chemistry”

Module Credits Workload Term Frequency Duration
7.12 15 CP 450 h 3. Sem Every semester 1 semester
Courses Contact hours Self-Study Group size
Research Practical in the Focal Point 15 h 120 h 1 Student
Programme
Prerequisites
“Practical Science and Communication“, In-depth practical I–III, basic knowledge of physical
chemistry
Learning outcomes
The student will be introduced to and trained in the scientific methods applied in one of the
Physical Chemistry research groups. Initially under the guidance of experienced research staff,
the student will acquire advanced scientific knowledge and will learn the skills necessary in order
to design, implement, perform, and analyze a research project related to the current research of
the groups. The student will become acquainted with the experimental techniques and/or the
software needed for analysis and simulation, learn how to search the scientific literature for
previous work relevant for the project, and acquire the ability to summarize and discuss the
results in the context of current research.
Content
The student will participate in an experiment from the research areas of the Physical Chemistry
groups. These comprise spectroscopy, microscopy, biophysical chemistry, photochemistry,
processes at surfaces and interfaces, calorimetric methods, solvation, nanoclusters, mass
spectrometry, vacuum techniques, structural properties and dynamics, development of scientific
apparatus, signal demodulation, advanced data evaluation techniques, lab safety, laser safety, and
more specialized physicochemical topics.
The student will also take part in the meetings of the research group on a regular basis and
actively contribute to the discussion of the project.
The student summarizes the findings independently in a written report and/or will present the
results in a seminar talk.
Teaching methods
Hands-on lab course, active participation in experimental data acquisition and/or analysis &
simulation
Mode of assessment
written lab report and/or seminar talk
Requirement for the award of credit points
all experiments and/or simulations are completed successfully; they are written up satisfactorily
in a lab report and/or presented in an adequate manner in a seminar talk.
Module applicability
Master of Science Chemistry
Weight of the mark for the final score
Weighted according to CPs.
Module coordinator and lecturer(s)
Lecturers from Physical Chemistry departments.
Further information
possible start independent of lecture schedule; length in weeks depends on availability of student
during week

68
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Industrial Chemistry
Heterogeneous Catalysis
Module Credits Workload Term Frequency Duration
8.1 5 CP 150 h 1. Sem. only WS 1 Semester
Courses Contact hours Self-Study Group size
Heterogeneous Catalysis a) 2 SWS 105 h All students choosing
b) 1 SWS Industrial Chemistry
Prerequisites
Solid knowledge of basics in Industrial Chemistry, Physical Chemistry, Inorganic Chemistry, and Organic
Chemistry
Learning outcomes
 Students get insight into the scientific basis of heterogeneous catalysis, with emphasis on the
elementary steps of catalytic reactions, on relations between catalyst structure and reactive
properties, between preparation routes and obtained structures, and on the interdisciplinary
approaches in catalyst research. They are introduced to the most important characterization
methods for heterogeneous catalysts and get an overview over the most important technical
applications of heterogeneous catalysis. The course enables students to orient themselves in the
multifaceted field of industrial heterogeneous catalysis and creates the basis for own scientific
activities in catalysis research.
 Soft skills: interactive presentation to an experienced audience, taking notes during lectures,
unsolicited follow-up of module contents, unsolicited consultation of relevant literature
Content
1. Elementary steps of heterogeneous catalysis - chemisorption: energetics, adsorption sites and surface
phases; surface reaction, surface reaction dynamics
2. Relations between structure and reactivity of catalytic surfaces - spatial structure: anisotropy of surface
structures and properties in metal and non-metal catalysts, ensemble effects and their use, electronic
structure - volcano relations and their basis, ligand effects
3. Promotors and poisons in catalysis - chemical and structure promoters and mechanisms of their
function, promoting selectivity and stability, basics of poisoning effects
4. Supported catalysts - introduction to texture properties, structure and properties of important supports,
surface chemistry of typical supports, interactions between supported components and supports
5. Preparation and activation of catalysts - basis steps in the preparation of solid materials from the
viewpoint of catalysis, addition of active components to supports, shaping of catalyst pellets, thermal
aftertreatment, activation of catalyst precursors
6. Important catalyst types and their application - metal catalysts (including bifunctional catalysis),
catalysis with redox oxides, industrial acid catalysis, environmental catalysis
7. Characterization of heterogeneous catalysts - laboratory reactors for reactivity characterization, texture
characterization by physisorption and chemisorption techniques, thermoanalytical (temperature-
programmed) methods, structural analysis by XRD, by X-ray absorption, surface analysis by XPS, ISS,
vibrational spectroscopy, optical and scanning probe microscopy, miscellaneous techniques (incl.
Mößbauer-, EPR-, NMR- and UV-vis spectroscopy)
Teaching methods
a) Lecture; b) Exercises
Mode of assessment
30 min end-of-term oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Master of Chemistry, focal point Industrial Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
B. Mei, M. Muhler
Further information
All lectures, additional contents of exercises, summaries of student lectures are distributed via moodle.
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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Industrial Chemistry II: Chemical Reaction Engineering

Module Credits Workload Term Frequency Duration
8.2 5 CP 180 h 1. Sem. only WS 1 Semester
Courses Contact hours Self-Study Group size
Industrial Chemistry II: Chemical Reaction a) 2 SWS 105 h All students choosing
Engineering b) 1 SWS Industrial Chemistry
Prerequisites
Solid knowledge of basics in Industrial Chemistry and Physical Chemistry
Learning outcomes
 Students acquire advanced knowledge about reactors used in chemical industry. They can apply
mathematical models to describe ideal reactors und will know reasons of deviations from ideal
behavior and know basic models for description of non-ideal reactors. In addition, students can
apply thermodynamic and kinetic tools in the analysis of reactions and are able to evaluate
consequences of transport limitations on overall reaction rates and are able to select appropriate
counteractive measures.
 Soft skills: interactive presentation to an experienced audience, taking notes during lectures,
unsolicited follow-up of module contents, unsolicited consultation of relevant literature
Content
1. Basics of chemical reaction engineering: terms and definitions
2. Stoichiometry and thermodynamics: stoichiometric balance and chemical conversion, calculation
of reaction enthalpy under reaction conditions, chemical equilibrium, definition of equilibrium
constants in diluted and concentrated systems, Michaelis-Menten-Kinetik
3. Kinetics of chemical reactions: volume-constant reactions in ideal reactors, kinetics of multiple
homogeneous reactions (first Damköhler number, polymerization, Michaelis-Menten-kinetics),
kinetics of heterogeneous reactions (catalysis, steps, Langmuir isotherm, competitive adsorption,
monomolecular and bimolecular reactions, Langmuir-Hinshelwood-, Eley-Rideal-, Hougen-
Watson rate laws, Bodenstein principle, rate-limiting step, most abundant surface intermediate,
mass transport in heterogeneous reactions
4. Combination of mass and heat transfer: kinetics of heterogeneous reactions limited by surface
reaction or transfer processes, reaction through liquid/liquid interface, effectiveness factors,
consecutive model in heterogeneous catalysis (second Damköhler number) and in reaction
through liquid/liquid interface, parallel approach in heterogeneous reactions (Thiele modulus) and
in reactions through liquid/liquid interface (Hatta number), especially for catalytic reactions
(generalized Thiele modulus, criteria for limitation of mass transfer - Weisz modulus, mass
transfer and overall kinetics, combining of reaction and heat transfer - Prater number)
5. Reactors in chemical industry (overview): ideal reactors (types, calculation of conversion, residence
time distribution, cascade of CSTRs, complex reactions in CSTR, PFR, selectivity, non-isothermal
reactions, instability), non-ideal reactors (residence time distribution, dispersion model, CSTRs-in-
series model, segregation, time of mixing, influence of segregation on kinetics)
6. Modelling of real reactors, selectivity in parallel and consecutive reaction networks
7. Non-steady state reactor operation: transition behavior of a CSTR, transient experiments
Teaching methods
a) Lecture; b) Exercises
Mode of assessment
30 min end-of-term oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Master of Chemistry, focal point Industrial Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
M. Muhler, B. Mei
Further information
All documents are provided via moodle
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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Modern Microkinetics
Module Credits Workload Term Frequency Duration
8.3 5 CP 150 h 2. Sem. only SoS 1 Semester
Courses Contact hours Self-Study Group size
Modern Microkinetics a) 2 SWS 105 h All students choosing
b) 1 SWS Industrial Chemistry
Prerequisites
Solid knowledge of basics in Chemical Reaction Engineering, Industrial Chemistry and Physical
Chemistry
Learning outcomes
 By means of examples students acquire advanced knowledge on basics and application of
modern simulation tools used in chemical engineering. The kinetics of a reaction is
described based on elementary steps. After the course students are able to solve basic
problems of chemical reaction engineering using MATLAB.
 Soft skills: interactive presentation to an experienced audience, taking notes during
lectures, unsolicited follow-up of module contents, unsolicited consultation of relevant
literature
Content
8. Modeling a chemical reaction using elementary steps: introduction of microkinetic
modeling, description of adsorption, desorption and reaction on a molecular basis,
statistical thermodynamics, estimation of kinetic parameters, modeling of temperature-
programmed experiments, simulation of SSITKA experiments
9. Microkinetic models: determination of kinetic parameters, Levenberg-Marquardt
algorithm, examples
10. Reactor models: adiabatic packed-bed reactors, heterogeneous and pseudo-homogeneous
models, consideration of non-steady reactor states, model selection, programs of estimation
of kinetic constants
11. numerical tools for solution of non-linear algebraic equations and non-linear differential
equations: boundary and initial value problems, one- and multiple-step procedure
12. overview of commercial software and routines in numerical/statistical libraries,
introduction to MATLAB
Teaching methods
a) Lecture; b) Exercises using MATLAB
Mode of assessment
30 min end-of-term oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Master of Chemistry, focal point Industrial Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
M. Muhler, B. Mei
Further information
All documents are provided via moodle

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Processes in Chemical Production - Past, Present and Future

Module Credits Workload Term Frequency Duration
8.4 5 CP 150 h 2. Sem. only SoS 1 Semester
Courses Contact Self-Study Group size
Processes in Chemical Production - Past, hours 105 h All students
Present and Future a) 2 SWS choosing
b) 1 SWS Industrial
Chemistry
Prerequisites
Solid knowledge of basics in Industrial Chemistry, Inorganic Chemistry, Organic Chemistry, and
Physical Chemistry
Learning/Course Objectives:
Students will acquire knowledge on important processes in chemical production and on the
network of raw materials and product flows in a national economy into which these are
integrated. They are to appreciate the influences of access to raw materials including renewables,
technological standard and regional conditions on the structure of the chemical industry and to
know important final products of chemical production and typical quality characteristics targeted
in the production process. They get insight in important management aspects in the chemical
industry, in particular related to the assessment and innovation of production processes.
Content
1. Raw materials for industrial organic chemistry in past, present and future
2. Oil refining, processes and actual trends
3. Production and use of synthesis gas and of hydrogen; production and use of olefins;
oxidation processes in chemical industry; synthesis, properties and technology of polymer
materials
4. Basic processes of inorganic chemical technology (incl. fertilizers)
5. Industrial use of renewables, presence and perspective
6. Business-management aspects of a chemists' job in industry
7. Criteria for the evaluation of chemical production processes, methodology for the design
of new chemical production processes
Teaching methods
a) Lecture; b) Exercises
Mode of assessment
30 min end-of-term oral exam
Requirement for the award of credit points
Passing the oral exam
Module applicability
Master of Chemistry, focal point Industrial Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
B. Mei, H. Zanthoff, A. Wolf, M. Muhler
Further information
All lectures and additional contents of exercises are distributed via moodle.

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Characterization of Heterogeneous Catalysts

Module Credits Workload Term Frequency Duration
8.5 8 CP 240 h 1. Sem. only WS 1 Semester
Courses Contact hours Self-Study Group size
Characterization of Heterogeneous Catalysts a) 8 SWS 105 h Max. 12
b) 1 SWS participants
Prerequisites
Solid knowledge of basics in Heterogeneous Catalysis, Chemical Reaction Engineering, Physical
Chemistry, and in Industrial Chemistry
Learning/Course Objectives:
Practical experience with important characterization techniques for heterogeneous catalysts, the
related data treatment methods and approaches to data interpretation,
critical assessment of the potential of the techniques, the accuracy of the data and the significance
of the results for catalyst research,
training in reporting, presentation and public discussion of the results.
Content
Practical experiments using
 nitrogen physisorption,
 thermogravimetry,
 X-ray photoelectron spectroscopy,
 FTIR spectroscopy,
 Raman spectroscopy,
 UV-Vis spectroscopy,
 X-ray diffraction,
and virtual experiments (treatment of measured data only) in
 X-ray absorption spectroscopy
 and other methods
are offered. 4 selected experiments are performed by groups of 2 students.
Teaching methods
a) Practical; b) Seminar
Mode of assessment
50 min end-of-term presentation of the results including discussion
Requirement for the award of credit points
Successful experimental performance, 4 accepted protocols, and successful oral presentation
Module applicability
Master of Chemistry, focal point Industrial Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
B. Mei, M. Muhler
Further information
All required documents incl. safety instructions are distributed via moodle.

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Industrial Catalysis

Module Credits Workload Term Frequency Duration
8.6 8 CP 240 h 1.-2. Sem. WS and SoS 1 Semester
Courses Contact hours Self-Study Group size
Industrial Catalysis a) 8 SWS 105 h Max. 4
b) 1 SWS participants
Prerequisites
Solid knowledge of basics in Chemical Reaction Engineering, Heterogeneous Catalysis and in
Industrial Chemistry
Learning/Course Objectives:
Students plan, perform and evaluate experiments in the field of fundamental research under the
supervision of an experienced scientist. They receive a detailed introduction into selected
scientific methods used in modern research in the field of heterogeneous catalysis.
Soft skills: teamwork and collaboration while carrying out experiments, graphical presentation of
practical results, general knowledge about operating systems, software and computing, scientific
writing skills
Content
 Scientific collaboration in a team working on a selected problem of heterogeneous
catalysis
 Detailed introduction to the scientific methods applied in fundamental research
 Literature search and evaluation of the scientific tasks
 Planning, performing and evaluating of the experiments under the supervision of an
experienced scientist
 Written report and oral presentation of the theoretical basics and obtained results
Teaching methods
a) Practical; b) Seminar
Mode of assessment
50 min end-of-term presentation of the results including discussion
Requirement for the award of credit points
Successful experimental performance, accepted protocol, and successful oral presentation
Module applicability
Master of Chemistry, focal point Industrial Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
M. Muhler, B. Mei
Further information
All required documents incl. safety instructions are distributed via moodle.

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical: Reaction Engineering of Heterogeneously Catalyzed

Reactions
Module Credits Workload Term Frequency Duration
8.7 8 CP 240 h 1. Sem. only WS 1 Semester
Courses Contact hours Self-Study Group size
Reaction Engineering of Heterogeneously a) 8 SWS 105 h Max. 8
Catalyzed Reactions b) 1 SWS participants
Prerequisites
Solid knowledge of basics in Chemical Reaction Engineering, Heterogeneous Catalysis, Physical Chemistry,
and in Industrial Chemistry
Learning/Course Objectives:
Advanced knowledge in basic fields of chemical reaction engineering, which are important for
heterogeneously catalyzed reactions: ignition/quenching behavior and stability, reaction limitation by
external and internal mass transfer, influence of mixing on conversion. After the course students are
familiar with procedures used for the analysis of kinetics of heterogeneously catalyzed reactions (operation
of a challenging flow set-up with on-line analysis, test for transfer limitations, collection of kinetic data,
data processing).
Soft skills: teamwork and collaboration while carrying out experiments, graphical presentation of practical
results, general knowledge about operating flow systems, software and computing
Content
In-depth kinetic experiment (one experiment per group of two students):
 steam reforming of methane
 photocatalytic degradation of methylene blue
 isothermal and transient biochar oxidation
 further experiments depending on availability
Investigation of the kinetics of a complex heterogeneously catalyzed reaction (calibration of the
experimental set-up, testing the analytical detection of reaction products, standard tests of external and
internal mass transfer limitations, measurement of concentration/time dependences, evaluation of
practical results concerning the reaction mechanism, calculation of kinetic parameters)
Basic experiments (for each group of two students):
 nitrite reduction
 polytropic tank reactor
 residence time distribution and conversion calculation
Studying ignition/quenching behavior and instabilities (oscillations) exemplified with an exothermic
reaction (decomposition of hydrogen peroxide); influence of internal mass transfer (pore diffusion, Thiele
modulus) on the overall reaction rate in a three-phase system (nitrite reduction); experimental
determination of residence time behavior and conversion of different reactors (CSTR, PFR, CSTRs-in-
series) depending on mixing; data evaluation using different models for ideal and non-ideal reactors
(dispersion, CSTRs-in-series and segregation model, calculation of Bodenstein and Damköhler number).
Teaching methods
a) Practical; b) Seminar
Mode of assessment
50 min end-of-term presentation of the results including discussion
Requirement for the award of credit points
Successful experimental performance, accepted protocols (1+3), and successful oral presentation
Module applicability
Master of Chemistry, focal point Industrial Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer(s)
M. Muhler, B. Mei
Further information
All required documents incl. safety instructions are distributed via moodle.

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Theoretical Chemistry

Computational Chemistry I: Structure and Dynamics of Molecules

Module Credits Workload Term Frequency Duration
9.1 5 CP 150 h 1., 3. Sem WS 1 Semester
Courses Contact Self-Study Group size
a) Lectures hours 75 h ~ 10 students
b) Exercises a) (2 SWS)
b) (1 SWS)
Prerequisites
Admission to the Master Course Program
Learning outcomes
Students acquire a broad overview upon computational techniques applied in drug design
Content
Forcefields, Quantum chemical methods (semiempiric, ab initio, DFT, TDDFT), Protein
structures, Molecular dynamics, Monte Carlo, Free Energy Calculations
Teaching methods
a) Lecture (2 hours per week)
b) Computer exercises (1 hour per week or block course)
Mode of assessment
Oral examination
Requirement for the award of credit points
Passing the oral examination
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer
M. Schindler
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Computational Chemistry II: Quantitative Structure-Activity Relations in

Drug Design
Module Credits Workload Term Frequency Duration
9.2 5 CP 150 h 2., 4. Sem SS 1 Semester
Courses Contact Self-Study Group size
a) Lectures hours 75 h ~ 10 students
b) Exercises a) (2 SWS)
b) (1 SWS)
Prerequisites
Knowledge acquired in Computational Chemistry I
Learning outcomes
Students acquire a broad overview upon computational techniques applied in drug design
Content
Classical QSARs in rational drug design: MLR, PCR (Hansch, Free-Wilson, LFER), Partial least
squares, Advances methods: 3D-QSAR(CoMFA, WAVE3D), ANN, SVM, Fuzzy Logic, Protein
modeling, Design of experiments
Teaching methods
a) Lecture (2 hours per week)
b) Computer exercises (1 hour per week or block course)
Mode of assessment
Oral examination
Requirement for the award of credit points
Passing the oral examination
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer
M. Schindler
Further information

77
FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Theoretical Chemistry II: Dynamics and Simulation (Chemistry)

Module Credits Workload Term Frequency Duration
9.3 5 CP 150 h 1. or 3. Sem. Each WiSe 1 Semester
Courses Contact hours Self-Study Group size
a) Lectures a)+b) a) 30 h 10 – 20 Students
b) Exercises 2+1 SWS b) 75 h
Prerequisites
Undergraduate level knowledge in classical mechanics, statistical mechanics and time-
independent non-relativistic quantum mechanics
Learning outcomes
Students acquire advanced knowledge of the theory and computational techniques of statistical mechanics
and (bio)molecular dynamics simulations in the realm of (bio)molecular systems such as (bio)molecules,
clusters, liquids, solids and surfaces. In addition, analysis methods to extract observables of experimental
interest, such as various spectroscopic, scattering, and diffraction techniques, are presented such that the
students can judge both their strengths and weaknesses with the focus on topical problems in Theoretical
Chemistry with a focus on Solvation Science.
Content
Essentials of classical and statistical mechanics: Formulations according to Newton, Lagrange and Hamilton,
corresponding equations of motion, conservation laws/conserved quantities, Noether theorem, Liouville
theorem, ensembles, distribution functions, first and second moments of distributions, connection to
averages and fluctuations of observables, correlation functions in space and time, van Hove correlation
function, pair and radial correlation function with connection to x-ray diffraction and neutron scattering
experiments, dynamic and static structure factors.
Potential energy surfaces: Valence force fields, pair potentials, many-body effects, empirical versus ab initio
parameterizations, characterization of stationary points, connection between properties of hypersurfaces and
chemical concepts, adiabatic chemical reactions.
Molecular dynamics: Basic idea of classical molecular dynamics, deriving integrators via "pedestrian
approach" and via Liouville formalism, ergodicity, extended phase space/Lagrangian methods for
thermostatting and barostatting, finite system size effects, boundary conditions, convergence criteria for
dynamical computer simulations, realizing various ensembles in terms of simulation algorithms, holonomic
constraints, deriving molecular dynamics from the time-dependent Schroedinger equation, time-dependent
self-consistent field dynamics, ab initio molecular dynamics equations of motion according to Ehrenfest,
Born-Oppenheimer and Car-Parrinello, including nuclear quantum effects via path integral simulations.
Teaching methods
Lecture and exercises with problems for self-studying, Q&A and discussion sessions with presentations
given by the participants, digital material provided via TheoChem Cloud.
Mode of assessment
Written or oral end-of-semester exam
Requirement for the award of credit points
Passing the end-of-semester exam
Module applicability
[Link]. Chemistry and [Link]. Biochemistry (Focal Point Program “Biomolecular Chemistry”)
Weight of the mark for the final score
According to CP
Module coordinator and lecturer(s)
D. Marx
Further information
Module can be integrated CP-relevant in [Link]. Biochemistry within the Focal Point Program “Biomolecular
Chemistry”

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Biomolecular Simulation: Understanding Experiments at the Molecular Level

Module Workload Credit points Available in semester Frequency Course duration
9.4 150 h 5 CP 1 Each WiSe 1 Semester

1 Teaching methods Hours per week Contact time Self-study

a) Lecture a) 2 h 45 h 105 h
b) Exercises b) 1 h
2 Learning objectives
Students acquire advanced knowledge of both experimental techniques as well as molecular
simulation methods for studying biomolecular systems, ranging from the solvation of small solutes
to proteins to biological interfaces. The focus will be on structure-dynamics-function relationships
and the underlying thermodynamic properties and principles. A number of selected techniques will
be introduced and it will be discussed how simulations can be used to interpret the experiments at
the molecular or even atomic level. A particular objective is to provide insights into the merits and
limitations of the respective methods.
3 Soft skills
interactive presentation in front of an audience, identification and recording of principal lecture
contents, independent revision of module contents, independent consultation of the relevant
literature
4 Prerequisite(s)
Admission to the Master Course Program
5 Evaluation of the learning process
active participation during lectures, interactive presentation of homework during exercises
6 Mode of examination
30-45 min end-of-term oral exam or 2-hour end-of-term written exam
7 Requirements for acquiring credit points
Passing the end-of-term exam
8 Significance for overall grade
Weighted according to CPs
9 Module contents
Fundamentals: Energy landscape, Boltzmann ensemble, hierarchy of timescales (Frauenfelder),
energy density, thermal energy, soft vs. hard degrees of freedom, fluctuations, entropy.
Biological (macro)molecules: Structure and relevant interactions, H-bonds, electrostatics, van-der-
Waals, hydrophobic effect. Dielectric properties of water, polarizability.
Molecular models: Degrees of freedom, sampling (Molecular Dynamics, Monte Carlo), spatial
boundary conditions, ingredients and parameterization of force fields. Water models.
Förster resonance energy transfer: Basic principles of fluorescence (Einstein coefficients,
spontaneous vs. induced emission, transition dipole moments, radiative lifetimes, Jablonsky
diagrams, quantum yields), FRET (energy transfer efficiency, Förster radius, distance
measurements), orientation of transition dipoles, FRET from MD simulations.
Binding: Isothermal titration calorimetry (basic principle, description of the apparatus, binding
isotherm), statistical mechanics (canonical/grand-canonical/isobaric-isothermal ensemble, partition
function, free energy, phase space integrals), potential of mean force, thermodynamic integration.
Applications to ligand-receptor binding, protein folding. Enthalpy-entropy compensation.
Protein dynamics: Dimensionality reduction, principal component analysis, normal mode analysis,
harmonic vs. quasiharmonic approximation, entropy estimation.
10 Person in charge / Lecturer(s)
L. Schäfer

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Theoretical Chemistry III: Electronic and Molecular Structure Theory

(Chemistry)
Module Credits Workload Term Frequency Duration
9.5 5 CP 150 h 2. or 4. Sem. Each SoSe 1 Semester
Courses Contact Self-Study Group size
a) Lectures hours a) 30 h 10-20 Students
b) Exercises a+b) 3 SWS b) 75 h

Prerequisites
Learning outcomes
After completing this course students will basic knowledge of modern wavefunction-based computational
electronic and molecular structure methods and how these methods can be applied to solve typical problems in
structure determination, spectroscopy, and the investigation of mechanisms and energetics of chemical
reactions. Futhermore they will know how to judge the accuracy and reliability of such methods .

Content
a+b) The course starts with basic principles for quantum mechanical many-particle systems and
how their wavefunctions can be described in compact ways and then discusses a variety of
modern wavefunction methods and their application:
 Pauli princple and Slater determinants
 Particle number representation (second quantization)
 Hartree-Fock and Multiconfigurational Self-Consistent Field methods
 Single- and Multiconfigurational Configuration Interaction methods
 Single- and Multireference Perturbation Theory
 Coupled-Cluster Methods
 Explicitly Correlated F12 Methods
 Response Theory approach to excitation energies and spectra
 Basis set convergence and basis set extrapolation
 Thermochemistry protocols
Teaching methods
Lecture and exercises with problems for self-studying,Q&A and discussion sessions with presentations given by
the participants, Moodle course with online material.
Mode of assessment
submission and grading of the solution sheets for the hands-on problems and a final oral end-of-
semester exam
Requirements for the award of credit points
Passing the oral end-of-semester exam
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
According to CP
Module coordinator and lecturer(s)
C. Haettig
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Atomistic Simulations with Machine Learning

Module 9.6 Credits Workload Term Frequency Duration
5 CP 150 h 1-4 (tba) annually 1 Semester
Courses Contact hours Self-Study Group size
a) Lectures (2 SWS) a) 30 hours 105 h 10-20 students
b) Exercises (1 SWS) b) 15 hours
Prerequisites Admission to the Master Course Program
Learning outcomes
After the successful participation in the module
a) the students will have obtained knowledge about
 different machine learning algorithms
 suitable input descriptors/feature vectors for machine learning
 different generations of machine learning potentials
 the construction of machine learning interatomic potentials
 the combination of machine learning potentials with simulation tools of theoretical chemistry
b) the students will have obtained practical skills in
 training and validating neural network potentials
 choosing reference structures by active learning
 applying neural network potentials in molecular dynamics
 managing workflows for machine learning potentials with python and jupyter notebooks
Content
a) The lecture will focus on the use of machine learning for atomistic simulations in chemistry and
materials science
 machine learning algorithms like neural networks, Gaussian processes, support vector machines
and others
 mandatory properties of input descriptors, various forms of atom-centered symmetry functions,
Coulomb matrix, smooth overlap of atomic positions, atomic cluster expansion, etc.
 different forms of representing the potential energy using atomic energy contributions,
electrostatics, dispersion interactions, long-range charge transfer, magnetism
 training algorithms for parameter optimization
 validation methods for machine learning potentials, extrapolation, interpolation errors, uncertainty
quantification
 combination of machine learning potentials with molecular dynamics and Monte Carlo
b) In the computer exercises practical experience in the construction, validation and use of neural network
potentials will be gained
 setting up working environments and computational frameworks
 selection of suitable training structures
 training different generations of high-dimensional neural network potentials
 validation and applicability of machine learning potentials
 running molecular dynamics simulations using neural network potentials
Teaching methods
a) Lecture (2 hours per week) b) Computer exercises (1 hour per week or block course)
Mode of assessment
a) 30-45 min end-of-term oral exam or 2-hour end-of-term written exam b) computer exercises
Requirement for the award of credit points
a) passing the end-of-term exam b) active participation in the exercises and reports
Module applicability
[Link]. Chemistry and [Link]. Biochemistry
Weight of the mark for the final score
The final score corresponds to the score of the exam
Module coordinator and lecturer
J. Behler
Further information
Some knowledge in Python, electronic structure calculations and/or molecular dynamics is recommended
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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Theoretical Spectroscopy (Chemistry)

Module Credits Workload Term Frequency Duration
5 CP 150 h 2. or 4. Sem. Each SoSe 1 Semester
9.7
Courses Contact hours Self-Study Group size
a) Lectures b) Exercises a+b) 2+1 SWS 105 h 10 – 20 Students
Prerequisites
Undergraduate level knowledge in classical mechanics, statistical mechanics and time-
independent non-relativistic quantum mechanics as well as advanced knowledge at the level of the
“Dynamics and Simulation” [Link]. lecture
Learning outcomes
Students understand and are able to explain theoretical approaches relying on time-dependent methods to
compute observables which are obtained experimentally using spectroscopic, scattering, and diffraction
techniques. They are able to assess the scope and limitations of such methods in the context of Solvation
Science with a focus on (bio)molecular condensed phase systems, in particular aqueous solutions and soft
matter.
Content
Review of standard molecular spectroscopy: Approximate decoupling of time-independent Schrödinger
equation in terms of translational, rotational, vibrational and electronic contributions, ro-vibrational
spectroscopy of diatomics based on rigid rotor/harmonic oscillator approximation, selection rules, vibronic
effects in the Frank-Condon approximation, Frank-Condon principle applied to the solvation of
chromophores, normal mode analysis of vibrations of polyatomic molecules
Time-dependence in quantum mechanics: Time-dependent Schrödinger equation and its wavepacket
solutions, properties of free particle and Gaussian wavepackets, quantum/classical correspondence and
Ehrenfest theorem, time-evolution operator formalism and Dyson equation, Schrödinger versus Heisenberg
versus Dirac pictures of quantum dynamics, time-dependent variational principle (Dirac-Frenkel TDVP),
linear TDVP, essentials of the time-dependent Hartree (TDH) method and its multiconfiguration (MCTDH)
extension, Gaussian wavepacket propagation methods (Heller, Singer)
Time-dependent perturbation theory for spectroscopy: Formalism and applications to important schematic
models, linear TDVP in Dirac picture, first- and second-order diagrams, virtual states and transitions, Fermi’s
Golden Rule
Molecular systems in the radiation field for spectroscopy: Transition probability, absorption cross section,
dipole approximation, transition dipole, semiclassical approach to molecule-radiation field coupling, basics
of the quantization of the radiation/electromagnetic field for spontaneous emission, multi-photon processes
and non-linear spectroscopy, Raman scattering process, transformation of spectroscopy formulated in the
static Schrödinger picture to the dynamic Heisenberg picture (Kubo-Gordon formalism to compute spectra),
time-autocorrelation functions and spectral line shape function, time-domain versus frequency-domain
spectroscopy
Neutron scattering and x-ray diffraction: van Hove formalism, first Born approximation, dynamic and static
structure factor, scattering length and form factors, coherent and incoherent scattering, van Hove correlation
function and the structural dynamics of liquids, pair correlation functions, radial distribution functions
Teaching methods
Lecture and exercises with problems for self-studying, Q&A and discussion sessions with presentations
given by the participants, digital material provided via TheoChem Cloud.
Mode of assessment
Written or oral end-of-semester exam
Requirement for the award of credit points
Passing the end-of-semester exam
Module applicability
[Link]. Chemistry and [Link]. Biochemistry (Focal Point Program “Biomolecular Chemistry”)
Weight of the mark for the final score
According to CP
Module coordinator and lecturer(s)
D. Marx
Further information
Module can be integrated CP-relevant in [Link]. Biochemistry within the Focal Point Program
“Biomolecular Chemistry”
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Master of Science Chemistry (M. Sc. Chemistry)

Industrial Computational Chemistry I: Fundamentals

Module Credits Workload Term Frequency Duration
9.8 5 CP 150 h 3. Sem WS 1 Semester
Courses Contact hours Self-Study Group size
a) Lectures a) (2 SWS) 100 h ~ 10 students
b) Exercises b) (1 SWS)
Prerequisites

Learning outcomes
Students acquire working knowledge on the techniques of computational chemistry in the realm
of (bio)molecular systems such as small drug-like molecules and proteins. Besides calculated and
experimentally determined molecular properties of small molecules, valuable sources of
information are published X-ray stuctures of enzyme-substrate complexes or transition metal
complexes, the critical evaluation of which is mandatory before they can be uses in rational drug
and catalysis design.
Content
Essentials of classical and statistical mechanics: formulations according to Newton, Lagrange and
Hamilton, corresponding equations of motion, conservation laws/conserved quantities,
ensembles
Born-Oppenheimer approximation, potential energy surfaces
Computational methods for molecular geometries and properties: valence force fields, semi-
empirical, ab initio (Hartree-Fock and beyond) and density functional methods, incorporation of
solvent effects by continuum approaches, conceptual DFT derived properties like
electronegativity, hardness, Fukui functions and reactivity descriptors
Experimental protein-substrate complexes, X-ray structures from the protein database. Basics of
protein strucure prediction: bioinformatics tools necessary for constructing 3D-structure models
of relevant but unknown proteins from experimentally know ones by homology modelling.
Monte Carlo and molecular dynamics approaches:
basic ideas and techniques of MC and MD, introduction of different ensembles, long-range
forces and boundary conditions. Applications in protein homology modelling and
thermodynamic cycles for Free Energy calculations.
Teaching methods
a) Lecture (2 hours per week)
b) Computer exercises (1 hour per week or block course)
Mode of assessment
30 - 45 min end-of-term oral exam or 2-hour end-of-term written exam
Requirement for the award of credit points
Passing the exam
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer
R. Franke
Further information

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Master of Science Chemistry (M. Sc. Chemistry)

Industrial Computational Chemistry II: Applications in Process Development

Module Credits Workload Term Frequency Duration
9.9 5 CP 150 h 3. Sem WS 1 Semester
Courses Contact hours Self-Study Group size
a) Lectures a) (2 SWS) 100 h ~ 20 students
b) Exercises b) (1 SWS)
Prerequisites

Learning outcomes
Students become aquainted with various theoretical tools used within projects for process
development.
Essential contributions of computational chemistry are in the field of chemical and physical
properties of complex systems, in development and understanding of reaction mechanism, and
in microkinetic modelling.
Important issues in industrial research are the timelines of projects. These and the inherent
limitations of methods determine the milestone plans of industrial computational chemistry
projects.
Content
- Short overview of the chemical business.
- Introduction into innovation management and new product development in chemical industry.
- Short overview of project management.
- A recapitulation of mixed phase thermodynamics with focus on gases and liquids is given.
- Group contribution methods commonly used in process sythesis are briefly introduced.
- The semiempirical COSMO-RS approach is derived and its use and limitations are illustrated.
- Gibbs ensemble Monte Carlo and molecular dynamics methods using empirical force fields for
calculation of industrial relevant phase diagrams are illustrated.
- Calculations of thermodynamical properties of gas-phase reactions with emphasis of highly
accurate ab initio methods are reviewed.
- Generic aspects of catalysis are recapitulated.
- Short overview of important homogeneously catalysed reactions in chemical industry is given.
- The formulation of the system of differential equations describing the microkinetics of a
catalytic cycle based on the Christiansen formalism is introduced.
- Selected examples of computational chemistry research projects on homogeneous catalysis are
discussed.
Teaching methods
a) Lecture (2 hours per week)
b) Computer exercises (1 hour per week or block course)
Mode of assessment
30 - 45 min end-of-term oral exam or 2-hour end-of-term written exam
Requirement for the award of credit points
Passing the exam
Module applicability
[Link]. Chemistry
Weight of the mark for the final score
Weighted according to CPs
Module coordinator and lecturer
R. Franke
Further information

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Master of Science Chemistry (M. Sc. Chemistry)

Scientific Programming Methods for Chemists

Module Credits Workload Term Frequency Duration
9.10 5 CP 150 h 2. or 4. Sem. only in SoS 1 Semester
Courses Contact Self-Study Group size
a) Lecture “Scientific Programming hours a) 30 h 10-20 Students
Methods for Chemists” 3 SWS b) 75 h
b) Exercises for Scientific Programming
Methods for Chemists
Prerequisites
None
Learning outcomes
After successful completion of the module students will:
 have basic knowledge programming concepts of modern programming languages
 know how to structure code and how to test and validate source code
 be able to turn scientific modelling problems into programmable algorithms
have some experience on how to use code libraries to solve standard mathematical
problems and to visualize scientific data
Content
The lecture uses Python as an example of a modern object-oriented programming language to
introduce students to:
 elementary data types (integers, floats, strings, etc.) and their representation in computers
 control structures (loops, conditions, functions, etc.)
 basics of object orientation (classes, inheritance, etc.)
 complex data types (lists, tuples, dictionaries, etc.)
 reading and writing data from/to files
 math libraries (numpy, scipy, blas, lapack)
 visualization of data with matplotlib
 solving differential equations numerically on grids
 solving algebraic problems (linear equations, SVD, eigenvalue problems)
Teaching methods
Lecture, Hands-on coding projects for self-studying on own laptops with online support by teaching
assistants via a chat work space, Q&A and discussion sessions, Moodle course with online material.
Mode of assessment
submission and grading of the solution sheets for the hands-on problems and a final written or
oral end-of-semester exam
Requirements for the award of credit points
successful written or oral end-of-semester exam
Module applicability
Master of Science in Chemistry and Master‘s program Molecular Sciences – Spectroscopy and
Simulation (iMOS)
Weight of the mark for the final score
by CP
Module coordinator and lecturer(s)
R. Schmid, C. Haettig
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Electronic and Molecular Structure Theory (iMOS)

Module Credits Workload Term Frequency Duration
9 CP 270 h 2. Semester Each SuS 1 Semester
9.11
Courses Contact hours Self-Study Group size
a) Lectures a+b) 3 SWS a) 30 h 10-20 Students
b) Exercises c) 5 SWS b) 75 h
c) Integrated computer practical c) 75 h
Prerequisites
Learning outcomes
a+b) After completing this course students will have basic knowledge of modern wavefunction-based
computational electronic and molecular structure methods and how these methods can be applied to solve
typical problems in structure determination, spectroscopy, and the investigation of mechanisms and
energetics of chemical reactions. Furthermore, they will know how to judge the accuracy and reliability of
such methods.
c) They will be familiar with software for electronic structure calculations, know how apply modern
electronic structure methods to practical problems and how to analyze, visualize and present results of
electronic and molecular structure calculations.
Content
a+b) The course starts with basic principles for quantum mechanical many-particle systems and how their
wavefunctions can be described in compact ways and then discusses a variety of modern wavefunction
methods and their application:
 Pauli principle and Slater determinants
 Particle number representation (second quantization)
 Hartree-Fock and Multiconfigurational Self-Consistent Field methods
 Single- and Multiconfigurational Configuration Interaction methods
 Single- and Multireference Perturbation Theory
 Coupled-Cluster Methods
 Explicitly Correlated F12 Methods
 Response Theory approach to excitation energies and spectra
 Basis set convergence and basis set extrapolation
 Thermochemistry protocols
c) Application of electronic structure methods to determine molecular structures, energy differences
between conformers, barriers for interconversion, vibrational spectra (IR and Raman), characterization of
electronically excited states, optical spectra (UV-Vis), accurate reaction energies and intermolecular binding
energies.
Teaching methods
a+b) Lectures and exercises with problems for self-studying, Q&A and discussion sessions with
presentations given by the participants, Moodle course with online material.
c) Computational hands-on projects to be solved on own laptops and/or a computer lab with different
software packages, done partially in supervised sessions and partially as self-study.
Mode of assessment
a+b) submission and grading of the solution sheets for the exercises and a final oral end-of-semester exam
c) submission and grading of reports of the computational hands-on projects
Requirements for the award of credit points
c) successful acceptance of the reports for the computational hands-on projects and
a+b) passing the oral end-of-semester exam
Module applicability
[Link]. iMOS and [Link]. Chemistry
Weight of the mark for the final score
According to CP
Module coordinator and lecturer(s)
C. Haettig
Further information
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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

In-depth Practical in Theoretical Chemistry

(up to three such modules in Theoretical Chemistry during winter semester 1 and summer semester 2)
Module Credits Workload Term Frequency Duration
9.12 8 CP 240 h 1.+2. Sem. Every semester 1 Semester
Courses Contact hours Self-Study Group size
Computer lab course 9 SWS 105 h 5-10 students
Prerequisites
Methodological and computational working knowledge in Theoretical Chemistry at the level of the
[Link]. Chemistry degree at RUB subject to specialization in Theoretical Chemistry
Learning outcomes
Advanced knowledge of the use of computational methods employed in state-of-the-art research in
order to understand the properties of (bio)molecular systems in the broadest sense, critical
assessment of the scope and limitations of various approaches/approximations in theoretical and
computational (bio)chemistry, visualization and presentation of results, gaining first insights into
simple programming. Team working and collaboration while carrying out virtual experiments,
general knowledge of operating systems, software and computing close to the level of state-of-the-art
research in Theoretical Chemistry, presentation of the research results close to the level of scientific
publications in Theoretical Chemistry
Content
This computer practical is composed of several independent compact courses which are
devoted to specific topics. Some examples are provided here, but the specific options are
subject to the preferences of the students and adjustments depending on advances in
Theoretical Chemistry:
Module on classical molecular dynamics and molecular modeling: Simulating structure
and dynamics of selected (bio)molecular condensed phase systems at finite temperature
and subject to periodic boundary conditions, such as molecular liquids and solutions,
critical evaluation and/or generation of interatomic potentials.
Module on electronic structure and spectroscopy: Computing electronic properties,
response properties and spectra of selected molecules, clusters, and complexes using
wavefunction-based methods or density functional theory (DFT).
Module on molecular structure and reactions: Computing accurate equilibrium structure
with various quantum chemistry methods, searching reaction pathways and transition
states, accurate calculations of reaction and activation enthalpies.
Module of solid state and surface calculations: Computation of two and three-dimensional
periodic structures including crystal surfaces with vacancies, adatoms, admolecules,
thermodynamic description of condensed matter.
Teaching methods
Hands-on computer course with integrated seminar (9 hours per week per module): These blocked courses
take place during either the first or second half of a given semester and might take place embedded within
the research groups or in our Virtual Lab “Theoreticum” both subject to very intense supervision by
experienced teaching assistants. The virtual experiments must be introduced (“motivation”), presented in
terms of tables, graphs, text and critically discussed (“results and discussion”) as well as summarized
(“abstract”) and concluded (“conclusions and outlook”) in a practical report that notably also includes an
concise introduction into the corresponding methodological and computational underpinnings (“methods
and computational details”) all with pertinent references, thus overall mimicking a short scientific
publication.
Mode of assessment
The virtual experiments must be completed successfully and written up satisfactorily in terms of a practical
report as outlined above.
Requirement for the award of credit points
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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Acceptance of the practical report based on the formal criteria outlined above.
Module applicability
[Link]. Chemistry and [Link]. Biochemistry (Focal Point Program “Biomolecular Chemistry”)
Weight of the mark for the final score
According to CP
Module coordinator and lecturer(s)
J. Behler, C. Hättig, D. Marx, L. Schäfer
Further information
Module can be integrated CP-relevant in [Link]. Biochemistry within the Focal Point Program
“Biomolecular Chemistry”

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Focal-point Research Practical in Theoretical Chemistry

Module Credits Workload Term Frequency Duration
9.13 15 CP 450 h 3. Sem. Each WiSe 1 Semester
Courses Contact Self-Study Group size
Computational research practical hours 225 h 5 – 10 Students
15 SWS

Prerequisites
Methodological and computational working knowledge in Theoretical Chemistry at the level of the [Link].
Chemistry degree at RUB subject to specialization in Theoretical Chemistry
Learning outcomes
Planning of a self-contained research project, advanced knowledge of the use of computational methods
employed in state-of-the-art research in order to understand the properties of (bio)molecular systems in the most
general sense, critical assessment of the scope and limitations of various approaches/approximations in
theoretical and computational (bio)chemistry in the broadest sense, visualization, written and oral presentation
of results, simple programming tasks, critical evaluation of the relevant scientific literature, writing of a practical
report that mimicks state-of-the-art scientific publications. Team working and collaboration while carrying out
virtual experiments, general knowledge of operating systems, software and computing close to the level of
state-of-the-art research in Theoretical Chemistry, presentation of the research results close to the level of
scientific publications in Theoretical Chemistry.
Content
This research computer practical can be devoted to a topic that is covered by one of the research groups in the
field of Theoretical Chemistry at RUB. The specific topic can be in subjects such as computational inorganic
chemistry, biochemistry, organic chemistry, physical chemistry, solvation science, surface science, or materials
science. The corresponding research groups can be found on the homepage of the Fakultaet as well as the
research fields that are currently covered by these groups in their contemporary scientific research. A critical
component is the practical or lab report which should mimic a typical scientific publication.
Teaching methods
This research computer practical typically takes place within a specific research group where the student is
hosted together with other group members. This will also involve teamwork and collaboration typically within
the group but possibly also involving experimental groups depending on the topic. There will be close contact to
the group members as well as with the group leader and/or an experienced coworker. The latter provide
feedback during and on the virtual experiments as well as feedback on the written lab report supervised by
teaching assistants. In The virtual experiments must be introduced (“motivation”), presented in terms of tables,
graphs, text and critically discussed (“results and discussion”) as well as summarized (“abstract”) and concluded
(“conclusions and outlook”) in a practical report that notably also includes an concise introduction into the
corresponding methodological and computational underpinnings (“methods and computational details”) all with
pertinent references, thus overall mimicking a short scientific publication.
Mode of assessment
The virtual experiments must be completed successfully and written up satisfactorily in terms of a practical
report as outlined above.
Requirement for the award of credit points
Acceptance of the practical report based on the formal criteria outlined above.
Module applicability
[Link]. Chemistry and [Link]. Biochemistry (Focal Point Program “Biomolecular Chemistry”)
Weight of the mark for the final score
According to CP
Module coordinator and lecturer(s)
J. Behler, C. Hättig, D. Marx, L. Schäfer
Further information
Module can be integrated CP-relevant in [Link]. Biochemistry within the Focal Point Program “Biomolecular
Chemistry”

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Crossdisciplinary Lectures and Practicals

Introduction to Computational Chemistry

Module Credits Workload Term Frequency Duration
10.1 4 CP 120 h x. Sem. Every WS 1 Semester
Courses Contact Self-Study Group size
a) Lecture (2h per week) hours 5h per week about 10-15
b) Hands on exercises (HoE) with a 1h 3 SWS (including HoE) students
Q&A session per week (online)
Prerequisites
None
Learning outcomes
Students who have finished this course will …
 have basic knowledge about modern computational chemistry methods, ranging from force
field models over density functional theory to wave function based post-Hartree-Fock
electronic structure methods.
 be able to apply such methods for routine applications in their future scientific work.
 are able to understand and assess the quality of computational chemistry applications in
publications and other scientific studies.
Content
Within this module basic concepts in computational chemistry are discussed. The following
methods to compute a potential energy surface of a chemical system are discussed:
 Force Field methods and parameterized models
 Density Functional Theory (DFT) based methods
 Post Hartree-Fock methods to include electron correlation
The following concepts and methods are treated in the module:
 Optimizing structures and transition states
 Basic concepts of Molecular Dynamics simulations
 Periodic Boundary Conditions for crystalline systems
 Exchange and Correlation Functional in DFT
 Basis sets for the representation of electronic wave functions (and densities)
 Frequency analysis, vibrational spectra and calculation of thermochemical data
 Working with computational chemistry codes (on LINUX environments)
 Using modern GUIs for performing computations

Teaching methods
Lecture, Hands on exercises on own laptop (BYOD) for different methods during the semester,
Q&A sessions (online) by student assistants and support from student assistants by a specific
messaging server to ask questions. Content is provide via a Moodle course.
Mode of assessment
Oral examination based on results from Hands on Exercises
Requirement for the award of credit points
Passing of oral exam
Module applicability
Master of Science in Chemistry, IMOS
Weight of the mark for the final score: by CP
Module coordinator and lecturer(s): Prof. Dr. Christof Hättig, Prof. Dr. Christian Merten, Prof.
Dr. Rochus Schmid
Further information

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Master of Science Chemistry (M. Sc. Chemistry)

From top-level science to top-level business

Module Credits Workload Term Frequency Duration
10.2 5 CP 125 h x. Sem. Only WS 1 Semester
Courses Contact Self-Study Group size
a) Seminar hours 90 h 30 Students
b) Lecture 3 SWS
Prerequisites
The module is intended for students from the 5th semester onwards in the Bachelor's and Master's degree
in addition to doctoral students, but without exclusion criteria. Previous knowledge, especially in business
administration or corporate law, is explicitly not required.
Learning outcomes
After successful completion of the module
 students develop business ideas using different creativity techniques
 design their ideas using different prototyping methods
 understand how to define target groups
 select appropriate methods for customer interviews
 students master the presentation technique of pitching
Content
The module pursues the overarching goal of sensitising students and doctoral students of chemistry and
related, similarly basic science degree programmes to a possible business start-up. To this end, the
students are not only provided with basic knowledge on how to start a business, but also with tools to first
develop an idea of a business model that suits their specific professional and/or methodological skills and
to identify ways to master the transfer from science to practice. Personal experience reports by successful
founders, who all have a strong background in basic research at the RUB, additionally provide vivid
practical reports as "role models" in personal contributions. In addition to these practical reports, the
participants benefit from the involvement of experts from different disciplines, such as customer
interviews or pitching, who convey content in an application-oriented manner and enable the students to
apply it independently. International external experts also help the participants to broaden their horizons.

Teaching methods
Seminar-based teaching, group work, digital teaching formats.
Mode of assessment
On the last day of the course, there is a 10-minute presentation of an individual business idea in group
work using the creative techniques learned for business model generation. In addition, students are
required to submit an individual guideline-based short reflection on the learned content one week later.
Requirement for the award of credit points
Successful final presentation as well as timely submission of the guideline-based reflection.
Module applicability

Weight of the mark for the final score

The decisive assessment criterion is the group presentation of the business idea. The guiding question-
based reflection has an individual effect with tendencies of one mark level.
Module coordinator and lecturer(s)
K. Tschulik, A. Beyer, F. Lehmann
Further information

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FAKULTÄT FÜR CHEMIE UND BIOCHEMIE
Master of Science Chemistry (M. Sc. Chemistry)

Master Thesis
Module Credits Workload Term Frequency Duration
11 30 CP 900 h 4. Sem. Any time 1 Semester
Courses Contact Self-Study Group size
Master Thesis hours 1

Prerequisites
“Practical Science and Communication“ and Focal-Point Practical
Learning outcomes
The Master Thesis is the written presentation of an experimental study on a chemical subject, including the
interpretation of the experimental data and the evaluation within the scientific context. Within 6 months of
working time the participants should prove their ability to apply modern methods for solving or investigating a
scientific problem self-reliently in the field of chemistry.
Content
Cooperation within a scientific research group
Literature survey for a scientific project
Introduction to spezialized scientific methods
Planing, performing, analyzing and evaluating scientific experiments
Presentation of scientific results
Teaching methods
Coaching
Mode of assessment

Requirement for the award of credit points

Master Thesis accepted as sufficient or better by two lecturers
Module applicability

Weight of the mark for the final score

According to CP
Module coordinator and lecturer(s)
All lecturers affiliated with the study program for M. Sc. Chemistry
Further information

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