Flávio O. Sanches-Neto

Publication Activity (10 Years)

Years Active: 2018-2018
Publications (10 Years): 2

Top Topics

Secondary Structure

Experimental Data

Chemical Reactions

Molecular Dynamics

Top Venues

J. Comput. Chem.

Publications

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)
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) (2018)