Electron-proton effect and the structure of excited molecular complexes
β Scribed by K. K. Kalninsh
- Book ID
- 106427541
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2008
- Tongue
- English
- Weight
- 522 KB
- Volume
- 49
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Using a recently modified INDO method the equilibrium intermolecular distance and heats of formation of various types of molecular complexes (CT, HB, CTTS, etc.) have been calculated. The results obtained are in reasonable agreement with available ab initio studies.
Multireference-configuration interaction MRD-CI calculations were carried out in detail to ascertain the spatial structures and the ground electronic states of Ε½ . q Ε½ . q He H and He H clusters, together with their lower-lying excited electronic states. 3 4 ## Ε½ . q The existence of a structura