Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations

Title
Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 11, Issue 6, Pages 2517-2524
Publisher
American Chemical Society (ACS)
Online
2015-04-30
DOI
10.1021/acs.jctc.5b00201

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