Charges derived from distributed multipole series
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference17 articles.
1. Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acid
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3. Derivation of net atomic charges from molecular electrostatic potentials
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5. Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison withab initio values
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