Optimized Quantum Mechanics/Molecular Mechanics Strategies...

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

Lindquist, Beth A., Haws, Ryan T., Corcelli, Steven A.
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Volume:
112
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp804900u
Date:
November, 2008
File:
PDF, 851 KB
english, 2008
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