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Computational Kinetics by Variational Transition-State Theory with Semiclassical Multidimensional Tunneling: Direct Dynamics Rate Constants for the Abstraction of H from CH3OH by Triplet Oxygen Atoms

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Description scientific article published on 31 January 2017
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author: Xuefei Xu  Donald Truhlar 

Publication date February 15, 2017
Language English
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