Predicting pKaValues of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes

Published 2011 View Full Article

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Title
Predicting pKaValues of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes
Authors
Keywords
-
Journal
Journal of Chemical Information and Modeling
Volume 51, Issue 8, Pages 1795-1806
Publisher
American Chemical Society (ACS)
Online
2011-07-18
DOI
10.1021/ci200133w

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