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Direct Simulations of Anharmonic Infrared Spectra Using Quantum Mechanical/Effective Fragment Potential Molecular Dynamics (QM/EFP-MD): Methanol in Water
Ghosh, Manik Kumer, Lee, Jooyong, Choi, Cheol Ho, Cho, MinhaengVolume:
116
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp306807v
Date:
September, 2012
File:
PDF, 1.25 MB
english, 2012