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A practical approach to the computation of the electrostatic energy in large molecules

โœ Scribed by M. Orozco; F.J. Luque


Book ID
113257540
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
879 KB
Volume
254
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES


A practical procedure for the determinat
โœ M. Orozco; F. J. Luque ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Springer Netherlands ๐ŸŒ English โš– 828 KB

A practical procedure for the precise determination of electrostatic charges, which are evaluated by fitting the rigorous quantum mechanical molecular electrostatic potential to a monopole-monopole expression, is presented. The proposal of this procedure arises from the study of the minimum requirem