|
|
| Offered by:
Department of Applied Chemistry
(IFAK) |
| Prerequisite: 91111,91122 |
| Recommended semester:
6th or 7th semester |
| Limitation: Max. 36 |
| Examination:
Written exam
(13 point scale
) |
| Contact person: |
Irene Shim, IFAK, Building 375, Tel. +45 4525 5432 |
|
| Aim: To familiarize the students with the quantum concepts that are underlying all of chemistry. To acquaint the students with the theoretical background needed to use the modern molecular modelling techniques. To acquire practical experience with molecular modeling techniques.To enable the students to understand the modern chemical literature. |
| Contents: The Schrödinger equation is introduced. The electronic structures of atoms and molecules are discussed. The quantum theory of the chemical bond. Vibrational states of diatomic molecules. Polyatomic molecules, including hydrocarbons. pi-electron theory and the Woodward-Hoffmann rules. The practical part is carried out by using PC's and graphical UNIX workstations to perform molecular modeling on selected chemical problems |
