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Electrostatic images by multipole expansion

✍ Scribed by Marin, J. L.


Book ID
111889743
Publisher
American Institute of Physics
Year
1984
Tongue
English
Weight
295 KB
Volume
52
Category
Article
ISSN
0002-9505

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Intramolecular electrostatic interaction
✍ Krzysztof Strasburger; W.Andrzej Sokalski πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 550 KB

A novel approach allowing the estimation of intramolecular electrostatic interactions has been applied to evaluate torsional barriers for model HO-OH, CHs-CHs and HsFSi-SiFHa systems. Interactions between rotated fragments have been estimated from cumulative atomic multipole moments (CAMM) calculate