Universität Wien

270146 UE Computer Course in Theoretical Chemistry (2009S)

2.00 ECTS (2.00 SWS), SPL 27 - Chemie
Continuous assessment of course work

Vorbesprechung:
2. März 15.00 Uhr im Seminarraum des Institutes für Computergestützte Biologische Chemie
(Währingerstrasse 17, Erdgeschoss)

Details

Language: German

Lecturers

Classes

Currently no class schedule is known.

Information

Aims, contents and method of the course

Content (language of instruction is german):
This course follows the lecture "Theoretische Chemie" by Prof. Steinhauser.
In the quantumchemical part the harmonic oscillator and oscillating wavepackets are investigated by means of the Schroedinger equation. Molecular orbital theory as well as Hartree-Fock calculations are made. Finally, in this first part the reaction of chloride with methylchloride is analyzed.
In the molecular dynamics part, the potential functions and their applications to the structure of small molecules and oligopeptides are the topics.

Assessment and permitted materials

Minimum requirements and assessment criteria

Insights in Theoretical Chemistry

Examination topics

Prerequisites: positive exam of lecture in "Theoretical Chemistry".
Procedure: one week course. Limited number of participants (20 in each course).
Grading: compulsory attendance, end-term exam

Reading list


Association in the course directory

Last modified: Fr 31.08.2018 08:55