Chemical Events in Solution Phase. The View from Molecular Level Descriptions
Journal Article
·
· AIP Conference Proceedings
- Department of Molecular Engineering, Kyoto University, 615-8510, Kyoto (Japan)
Two recently developed theoretical tools to deal with chemical processes in solution phase are presented. One is RISM-SCF theory that is a hybrid method of quantum chemistry and statistical mechanics for molecular liquids. The other is an new analysis method for wave function in terms of resonance structure based on the second quantization technique.
- OSTI ID:
- 21251373
- Journal Information:
- AIP Conference Proceedings, Vol. 1046, Issue 1; Conference: ICNAAM-2007: International conference on numerical analysis and applied mathematics 2007; ICCMSE-2007: International conference on computational methods in sciences and engineering 2007, Corfu (Greece), 16-20 Sep 2007; 25-30 Sep 2007; Other Information: DOI: 10.1063/1.2997311; (c) 2008 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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