Quantum Chemistry Laboratory
Prof. N. Rösch


The Quantum Chemistry Laboratory is divided into three Sections. If you have completed the exercises of Sections I or II and if you want to continue with the next Section, please send an e-mail with your solutions to the course supervisor . If your solutions are essentially correct, then the course supervisor will help you gain access to the next Section.

Also remember that you have to register first, before you will be able to access Sections II or III.

Use the registration form also if you want to change your password.

Your solutions (in English or German) should contain only the following information:

Part Exercise Send in
I 1 nothing
2 Z-matrix (Gaussian input)
3 Z-matrix (Gaussian input)
4 Z-matrix (Gaussian input)
5 Z-matrix (Gaussian input)
6 Spin multiplicity of H, O, and H2O, dipole moment and dissociation energy of H2O
II 7 Answers to Questions a-d
8 Answer to Question a
9 Answer to Questions b
10 Table with charges of C and Na
11 NMR chemical shifts
12 Answer to Question a
13 Answers to Questions c and d

If you have any questions or remarks concerning the exercises or the Quantum Chemistry Laboratory in general, please contact the course supervisor:

Prof. N. Rösch
Institut für Physikalische und Theoretische Chemie
Technische Universität München
85747 Garching
Phone: +49-89-289-13619
Fax: +49-89-289-13648
E-mail: roesch@theochem.tu-muenchen.de

Contact the course supervisor

Copyright © 2003 N. Rösch, Technische Universität München