title: Energy disposal and thermal rate constants for the OH + HBr and OH + DBr reactions: quasiclassical trajectory calculations on an accurate potential energy surface.
abstract: We report reaction cross sections, energy disposal, and rate constants for the OH + HBr → Br + H2O and OH + DBr → Br + HDO reactions from quasiclassical trajectory calculations using an ab initio potential energy surface [ de Oliveira-Filho , A. G. S. ; Ornellas , F. R. ; Bowman , J. M. J. Phys. Chem. Lett. 2014 , 5 , 706 - 712 ]. Comparison with available experiments are made and generally show good agreement.
authors.affiliation: Departamento de Quı́mica Fundamental, Instituto de Quı́mica, Universidade de São Paulo , São Paulo 05508-000, Brazil.
authors.forename: Antonio G S
authors.initials: AG
authors.lastname: de Oliveira-Filho
authors.forename: Fernando R
authors.initials: FR
authors.lastname: Ornellas
authors.forename: Joel M
authors.initials: JM
authors.lastname: Bowman