Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol

Published 2020 View Full Article

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Title
Simulating Solvation and Acidity in Complex Mixtures with First-Principles Accuracy: The Case of CH3SO3H and H2O2 in Phenol
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 16, Issue 8, Pages 5139-5149
Publisher
American Chemical Society (ACS)
Online
2020-06-22
DOI
10.1021/acs.jctc.0c00362

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