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Study on the construction of satisfactory nonorthogonal localized molecular orbitals

✍ Scribed by Huasheng Feng; Jiang Bian; Lemin Li


Book ID
111784178
Publisher
SP Science China Press
Year
2004
Tongue
English
Weight
148 KB
Volume
47
Category
Article
ISSN
1674-7291

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πŸ“œ SIMILAR VOLUMES


A study of molecular one-electron proper
✍ John D. Goddard; Imre G. Czizmadia πŸ“‚ Article πŸ“… 1977 πŸ› John Wiley and Sons 🌐 English βš– 500 KB

## Abstract A number of molecular one‐electron progperties have been analyzed by partitioning their electronic components over energy localized molecular orbitals (LMO). The ammonia and ethane molecules, calculated in an Approximately double zeta qualtiy basis set, were considered. The partitioning