270004 UE Quantum Chemistry and Chemical Dynamics (2008S)

6.00 ECTS (6.00 SWS), SPL 27 - Chemie

Continuous assessment of course work

Seminarraum des Instituts für Theoretische Chemie , Währinger Strasse 17, 1090 Wien, 4.Stock

Details

Language: German

Lecturers

Classes

Currently no class schedule is known.

Information

Aims, contents and method of the course

1. Methodologies: methods for the calculation of potential energy surfaces; use of quantum chemical program packages, analysis of energy surfaces, molecular orbitals and molecular states; computation of molecular properties; simulation of photochemical and photophysical processes; 2. Application to selected problems in Chemistry (e.g. Woodward-Hoffmann rules, mechanisms of photochemical reactions, laser control of the photoisomerization, interferometry of wavepackets)
Supplementary material: course material
Evaluation (IP): presence, cooperation and final report
Goals: Introduction into the calculation of potential energy surfaces and their use for the interpretation and simulation of structural and spectroscopic problems and photochemical processes.
Blocked course

Assessment and permitted materials

Minimum requirements and assessment criteria

Einführung in die Berechnung von Potentialflächen und deren Verwendung zur Interpretation und Simulation strukturchemischer und spektroskopischer Probleme sowie chemischer und photochemischer Prozesse.

Examination topics

Reading list

Association in the course directory

TC2

1. Wahlmodulgruppen

27.01. Chemistry ➡ B. Masterstudien

Last modified: Fr 31.08.2018 08:55