Valter H. Carvalho-Silva

Orcid: 0000-0002-7411-0099

According to our database1, Valter H. Carvalho-Silva authored at least 5 papers between 2017 and 2019.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Links

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Bibliography

2019
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.
Proceedings of the Computational Science and Its Applications - ICCSA 2019, 2019

2018
Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling.
J. Comput. Chem., 2018

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.
Proceedings of the Computational Science and Its Applications - ICCSA 2018, 2018

2017
Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime.
J. Comput. Chem., 2017

The HI + OH → H<sub>2</sub>O + I Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics.
Proceedings of the Computational Science and Its Applications - ICCSA 2017, 2017


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