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Molecular Kinetics and Catalysis

Course 0000000855 in SS 2021

General Data

Course Type lecture
Semester Weekly Hours 3 SWS
Organisational Unit TUM Department of Chemistry
Lecturers Karsten Reuter
Christoph Scheurer
Dates

Assignment to Modules

This course is not assigned to any module.

Further Information

Courses are together with exams the building blocks for modules. Please keep in mind that information on the contents, learning outcomes and, especially examination conditions are given on the module level only – see section "Assignment to Modules" above.

additional remarks 1. Mechanisms for prototypical catalytic processes 2. Bonding of adsorbates on surfaces 3. Deterministic kinetics 4. Probability theory and stochastic processes 5. Chemical kinetics, mean-field approximation and emergence of classical kinetics 6. Getting rate constants: From fitting to first-principles 7. Simulations techniques: Molecular dynamics and kinetic Monte Carlo 8. Analyzing reaction mechanisms: Rate determining steps and sensitivity analysis 9. Ab initio thermodynamics 10. Electrocatalysis 11. Towards computational catalyst design
Links E-Learning course (e. g. Moodle)
Additional information
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