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QM/MM Protocol for Direct Molecular Dynamics of Chemical Reactions in Solution: The Water-Accelerated Diels–Alder Reaction
Yang, Zhongyue, Doubleday, Charles, Houk, K. N.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b01029
Date:
November, 2015
File:
PDF, 2.33 MB
english, 2015