270146 UE Computer Course in Theoretical Chemistry (2011S)
Continuous assessment of course work
Labels
Vorbesprechung : 1. März 9:00 Uhr am Institut für Computergestützte Biologische Chemie (Währingerstrasse 17, Erdgeschoss)Seminarräume d. Institute f. Theoretische Chemie und Computergestützte Biologische Chemie
Kurs 1: Montag, 4. Juli 2011 9:00 Uhr - 18:00 Uhr
Dienstag, 5. Juli 2011 9:00 Uhr - 18:00 Uhr
Mittwoch, 6. Juli 2011 9:00 Uhr - 12: 00 UhrKurs 2: Mittwoch, 6. Juli 14:00 Uhr - 18:00 Uhr
Donnerstag, 7. Juli 9:00 Uhr - 18:00 Uhr
Freitag, 8. Juli 9:00 Uhr - 17:00 UhrEnde der Anmeldungsfrist im UNIVIS-System ist der 11.März 2011.
Registration/Deregistration
Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).
- Registration is open from Tu 15.02.2011 09:00 to Fr 11.03.2011 23:59
- Deregistration possible until We 30.03.2011 23:59
Details
max. 40 participants
Language: German
Lecturers
Classes
Currently no class schedule is known.
Information
Aims, contents and method of the course
Assessment and permitted materials
compulsory attendance, final examination
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: Mo 07.09.2020 15:41
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.