Electrostatic representations of molecul
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Dirk Stigter; John A. Schellman
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Article
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1973
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John Wiley and Sons
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English
โ 602 KB
## Abstract The treatment of electrostatic interactions between molecular groups is based on quantum mechanical electron density distributions. A general method is suggested using tesseral harmonic multipole expansions and representing each set of point multipoles by a cluster of discrete charges s