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-SilvaPublished in: ICCSA (5) (2018)