Nayara D. Coutinho

Publication Activity (10 Years)

Years Active: 2017-2019
Publications (10 Years): 4

Top Topics

Secondary Structure

Protein Folding

Chemical Reactions

Molecular Dynamics

Top Venues

J. Comput. Chem.

Publications

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)
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)
Nayara D. Coutinho, Valter H. Carvalho-Silva, Heibbe C. B. de Oliveira, Vincenzo Aquilanti
O + I Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics. ICCSA (5) (2017)