Comparison of methods for deriving atomic charges from the electrostatic potential and moments
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference39 articles.
1. Determinations of atomic partial charges for nucleic acid constituents from x-ray diffraction data. I. 2′-Deoxycytidine-5′-monophosphate
2. Charge equilibration for molecular dynamics simulations
3. Electron Density from X-Ray Diffraction
4. Criteria for the Construction of Good Self‐Consistent‐Field Molecular Orbital Wave Functions, and the Significance of LCAO‐MO Population Analysis
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