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First-Principles Molecular Dynamics and Computed Rate Constants for the Series of OH-HX Reactions (X = H or the Halogens): Non-Arrhenius Kinetics, Stereodynamics and Quantum Tunnel.

Nayara D. CoutinhoVincenzo AquilantiFlávio O. Sanches-NetoEduardo C. VazValter H. Carvalho-Silva
Published in: ICCSA (5) (2018)
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