A novel method to calculate electrostatic charges is proposed. Partial charges are fitted to reproduce the electrostatic potential of a distributed multipole series without explicitly evaluating electrostatic potentials. The calculation is economical and results in charges reflecting the symmetry pr
Electrostatic potential surfaces derived from distributed multipole analysis
β Scribed by Henry Dayringer; Jeffery Gaw
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 126 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0263-7855
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