Multiscale Treatment for the Molecular Mechanism of a Diels–Alder Reaction in Solution: A QM/MM-MD Study

Title
Multiscale Treatment for the Molecular Mechanism of a Diels–Alder Reaction in Solution: A QM/MM-MD Study
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 12, Issue 10, Pages 4735-4742
Publisher
American Chemical Society (ACS)
Online
2016-09-18
DOI
10.1021/acs.jctc.6b00772

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