Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches

标题
Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 11, Issue 8, Pages 3829-3843
出版商
American Chemical Society (ACS)
发表日期
2015-07-11
DOI
10.1021/acs.jctc.5b00503

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