Intramolecular electrostatic interaction
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Krzysztof Strasburger; W.Andrzej Sokalski
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Article
📅
1994
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Elsevier Science
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English
⚖ 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