Optimized Quantum Mechanics/Molecular Mechanics Strategies for Nitrile Vibrational Probes: Acetonitrile andpara-Tolunitrile in Water and Tetrahydrofuran

Published 2008 View Full Article

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Title
Optimized Quantum Mechanics/Molecular Mechanics Strategies for Nitrile Vibrational Probes: Acetonitrile andpara-Tolunitrile in Water and Tetrahydrofuran
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 112, Issue 44, Pages 13991-14001
Publisher
American Chemical Society (ACS)
Online
2008-10-15
DOI
10.1021/jp804900u

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