Reaction Path Force Matching: A New Strategy of Fitting Specific Reaction Parameters for Semiempirical Methods in Combined QM/MM Simulations

Published 2014 View Full Article

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Title
Reaction Path Force Matching: A New Strategy of Fitting Specific Reaction Parameters for Semiempirical Methods in Combined QM/MM Simulations
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 10, Issue 8, Pages 3038-3054
Publisher
American Chemical Society (ACS)
Online
2014-04-03
DOI
10.1021/ct4009624

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