Quantum Chemistry Laboratory
Prof. N. Rösch

Procedures

In Section I of the Quantum Chemistry Laboratory you will acquire basic skill for carrying out quantum chemical calculations. Then, in Sections II and III you will perform your own quantum chemical calculations. The Quantum Chemistry Laboratory provides a convenient interface to the quantum chemistry program Gaussian. This will make it easy to prepare and perform actual quantum chemical calculations via the internet.

Hint for advanced students: You may construct your own problems, either by varying the calculations suggested in the exercises or by choosing your own molecules. In this case please contact the course supervisor for further advice.


Contact the course supervisor

Copyright © 2003 N. Rösch, Technische Universität München