Efficient Constrained Density Functional Theory Implementation for Simulation of Condensed Phase Electron Transfer Reactions

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Title
Efficient Constrained Density Functional Theory Implementation for Simulation of Condensed Phase Electron Transfer Reactions
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 2, Pages 587-601
Publisher
American Chemical Society (ACS)
Online
2016-12-25
DOI
10.1021/acs.jctc.6b01085

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