Compulsory Module 18: Theoretical Chemistry A (5 ECTS-Credits, 4 h)
Prerequisites for registration: none
Learning Outcome: The students are able to ¿ reproduce the basics of the description of chemical systems in the context of theoretical chemistry; ¿ understand the quantum mechanical description of multi-electron systems and the implication of abstracting this description by inter- and intramolecular forces within the framework of molecular mechanics; ¿ compare different quantum mechanical methods as well as force fields of molecular mechanics in terms of their fundamentals and application as well as contrasting advantages, disadvantages and limitations; ¿ name use cases of the different methods such as the calculation of molecular vibrations or statistical-thermodynamic properties of the structural ensemble and argue the choice of a suitable method for their calculation; ¿ to establish the relationship between theoretical-chemical calculations and experiments from the different chemical disciplines and to understand and discuss connections and differences.
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VO Theoretical Chemistry II (VO / 2h / 2,5 ECTS-AP)
Klaus Liedl
Details of this course

  • There may still be changes in the courses offered as well as room allocation and course dates.
  • The course descriptions found in the English version of the course catalogue are for informational purposes only. Authoritative information can be found in the "Vorlesungsverzeichnis" (German version of the course catalogue).