A Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon Tetrachloride Mixtures: Equilibrium Hydrogen-Bond Structure and Dynamics at the Ground State and the Infrared Absorption Spectrum

Published 2011 View Full Article

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Title
A Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon Tetrachloride Mixtures: Equilibrium Hydrogen-Bond Structure and Dynamics at the Ground State and the Infrared Absorption Spectrum
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 115, Issue 29, Pages 9184-9194
Publisher
American Chemical Society (ACS)
Online
2011-06-17
DOI
10.1021/jp204245z

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