## Bachelor Chemistry

*Here you find some non-authorized translations from the original german version, to which we are referring to*.

**Module: Number:** 13-111-0631-N

**Title**: Introduction to Theoretical Chemistry

**Goals**: Students know the basics of theoretical chemistry and master its methods and applications.

**Content:** Necessity of the quantum theory. History. The time-independent Schrödinger equation. Electron in the potential box. Harmonic oscillator. Rigid rotator. Hydrogen atom. Qualitative aspects of multi-electron atoms. Chemical bonding. Molecular symmetry. Molecular vibrations. Hückel's MO theory. Electron structure and bonding properties of pi-electron systems and allvalence electron systems.

*Here you find some non-authorized translations from the original german version, to which we are referring to*.

**Module: Number:** 13-111-1511-X

**Title**: Mathematics for Chemists

**Goals**: Students have acquired mathematical knowledge and techniques needed to understand the content of chemistry and physics.

**Content:** Fundamentals of linear algebra; functions of one and more variables; differential calculus; integral calculus; series expansion; extreme values for functions of more than one variable; ordinary differential equations, complex Numbers

*Here you find some non-authorized translations from the original german version, to which we are referring to*.

**Module: Number:** 13-111-0431-X

**Title**: Practical Course in Physical and Theoretical Chemistry

**Goals**: Students use the deepened knowledge of the fundamentals of physical chemistry for physicochemical experimentation and reflect on the reliability of experimental results.

**Content:** Practical course: Experiments on thermodynamics, kinetics, electrochemistry, interfacial chemistry (e.g. critical quantities of real gases, calorimetry, phase diagrams, colligative properties, transfer number and ion migration velocity, cell voltages, hydrolysis, autocatalysis, heterogeneous catalysis), introduction to simulation calculations. The practical course is accompanied by seminars.

**Module: Number:** 13-111-0466-X

**Title**: Advanced Physical and Theoretical Chemistry II

**Goals**: The students know current experimental and theoretical methods for the characterization of molecules and solids and are able to apply them.

**Content:** Practical course: Complex experiments on spectroscopy and surface phenomena in combination with computer simulations. The practical course is accompanied by seminars.

## Master Chemistry

**Module: Number:** 13-121-0621

**Title**: Modern Methods in Theoretical Chemistry

**Goals**: Students are familiar with relevant techniques and can assess their applicability to different systems and problems. Students are able to independently perform computer simulations on cluster and periodic systems and critically assess their validity. Students have gained initial basic knowledge beyond the Born-Oppenheimer approximation and the restriction to time-independent phenomena.

**Content:** Methods for the consideration of electron correlation (post-Hartree-Fock method, density functional theory), methods for the calculation of very large systems, supercell approaches for the calculation of periodic structures, methods for the treatment of dynamical processes.** **

**Module: Number:** 13-121-0641

**Title**: Computational Spectroscopy

**Goals**: Students learn to calculate spectra using modern methods of computational chemistry and to determine the structure and properties of molecules by comparison with calculated quantities.

**Content:** Fundamentals of density functional theory, geometry optimization, ionization potential and electron affinity, polarizabilities, vibrational spectroscopy (IR and Raman), NMR, EPR and UV/Vis spectroscopy.** **

**Module: Number:** 13-121-0631

**Title**: Practical Course Theoretical Chemistry

**Goals**: The students gain first insights into the processing of problems in a current research project through independent scientific work. They are able to apply the basic, but especially the modern methods and calculations of theoretical chemistry.

**Content:** Semiempirical methods: HMO, EHT, AM1. Quantum chemical ab-initio methods: Hartree-Fock methods, post-Hartree-Fock methods. Density functional methods. Molecular dynamics Periodic systems: supercell DFT method. Introduction to UNIX operating systems.

## Staatsexamen Lehramt

**Module: Number:** 13-231-0221

**Title**: Mathematics in Inorganic Chemistry I

**Goals**: Students learn the chemistry of the main group elements, acquire knowledge of the most important properties and qualitative analytical proof of the elements, as well as the basics of mathematical treatment of subject-specific problems in chemistry.

**Content:** Number systems, scalars, vectors, elementary functions, sequences and series, differential and integral calculus, probability and statistics.