The HI + OH → H2O + I Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics. - Nayara D. Coutinho; Valter H. Carvalho-Silva; Heibbe C. B. de Oliveira; Vincenzo Aquilanti (ICCSA (5), 2017)

Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime. - Valter H. Carvalho-Silva; Vincenzo Aquilanti; Heibbe C. B. de Oliveira; Kleber C. Mundim (J. Comput. Chem., 2017)

Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling. - Nayara D. Coutinho; Flávio O. Sanches-Neto; Valter H. Carvalho-Silva; Heibbe C. B. de Oliveira; Luiz A. Ribeiro; Vincenzo Aquilanti (J. Comput. Chem., 2018)