Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations

Published 2019 View Full Article

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Title
Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 15, Issue 5, Pages 2847-2862
Publisher
American Chemical Society (ACS)
Online
2019-04-04
DOI
10.1021/acs.jctc.9b00143

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