270146 UE Computer Course in Theoretical Chemistry (2010S)
Continuous assessment of course work
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Seminarraum - Erdgeschoss Währinger Straße 17.Zulassungsvoraussetzung: positives Zeugnis über die Vorlesung Theoretische Chemie; beschränkte Teilnehmeranzahl ( 2 Kurse zu je 20 Studenten);verpflichtende Vorbesprechung am 2. März um 13:00 Uhr
Details
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: 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.