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

Published 2015 View Full Article

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Title
Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 11, Issue 8, Pages 3829-3843
Publisher
American Chemical Society (ACS)
Online
2015-07-11
DOI
10.1021/acs.jctc.5b00503

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