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ORCIDValter H. Carvalho-Silva
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2010 – 2019
- 2019
[c3]Valter H. Carvalho-Silva
, Eduardo C. Vaz, Nayara D. Coutinho, Hikaru Kobayashi, Yuki Kobayashi, Toshio Kasai, Federico Palazzetti, Andrea Lombardi, Vincenzo Aquilanti:
The Increase of the Reactivity of Molecular Hydrogen with Hydroxyl Radical from the Gas Phase versus an Aqueous Environment: Quantum Chemistry and Transition State-Theory Calculations. ICCSA (6) 2019: 450-459- 2018
- [j2]Nayara D. Coutinho, Flávio O. Sanches-Neto, Valter H. Carvalho-Silva, Heibbe C. B. de Oliveira, Luiz A. Ribeiro, Vincenzo Aquilanti:
Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling. J. Comput. Chem. 39(30): 2508-2516 (2018) - [c2]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 - 2017
- [j1]Valter H. Carvalho-Silva, Vincenzo Aquilanti, Heibbe C. B. de Oliveira, Kleber C. Mundim:
Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime. J. Comput. Chem. 38(3): 178-188 (2017) - [c1]Nayara D. Coutinho, Valter H. Carvalho-Silva, Heibbe C. B. de Oliveira, Vincenzo Aquilanti:
The HI + OH → H2O + I Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics. ICCSA (5) 2017: 297-313
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