A sunplc procedure to decompose the theoretical molecular charge distribution into cumulative atomic multipoles supplementirg .my population analysis scheme has been described and tested for a number of molecules in extended basis sets. TIIIS ~pprodch ma!, bc applied to describe local charge distrib
Cumulative atomic multipole moments and point charge models describing molecular charge distribution
β Scribed by Andrzej Sawaryn; W.Andrzej Sokalski
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 844 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0010-4655
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