𝔖 Bobbio Scriptorium
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Externally localized molecular orbitals: A numerical investigation of localization degeneracy

✍ Scribed by P. Scheurer; W. H. E. Schwarz

Book ID
118280407
Publisher
John Wiley and Sons
Year
2000
Tongue
English
Weight
233 KB
Volume
76
Category
Article
ISSN
0020-7608

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πŸ“œ SIMILAR VOLUMES

A study of molecular one-electron proper
A study of molecular one-electron properties in terms of localized molecular orbital components
✍ 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