Computational Kinetics by Variational Transition-State...

Computational Kinetics by Variational Transition-State Theory with Semiclassical Multidimensional Tunneling: Direct Dynamics Rate Constants for the Abstraction of H from CH 3 OH by Triplet Oxygen Atoms

Meana-Pañeda, Rubén, Xu, Xuefei, Ma, He, Truhlar, Donald G.
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Volume:
121
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.6b10600
Date:
March, 2017
File:
PDF, 1.67 MB
english, 2017
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