270146 UE Computer Course in Theoretical Chemistry (2009S)
Continuous assessment of course work
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Vorbesprechung:
2. März 15.00 Uhr im Seminarraum des Institutes für Computergestützte Biologische Chemie
(Währingerstrasse 17, Erdgeschoss)
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
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
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
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.