"First-Principles Molecular Dynamics and Computed Rate Constants for the ..."

Nayara D. Coutinho et al. (2018)

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DOI: 10.1007/978-3-319-95174-4_47

access: closed

type: Conference or Workshop Paper

metadata version: 2020-03-27

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Nayara D. Coutinho, Vincenzo Aquilanti, Flávio O. Sanches-Neto, Eduardo C. Vaz, Valter H. Carvalho-Silva:
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. ICCSA (5) 2018: 605-623

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