Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison withab initio values
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference24 articles.
1. and (Eds), Chemical Applications of Atomic and Molecular Electrostatic Calculations, Plenum, New York, 1981.
2. The Dependence of the Surface Electrostatic Potential of B-DNA on Environmental Factors
3. An approach to computing electrostatic charges for molecules
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