Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K-Reference-Cited by-同舟云学术

Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K

Published:2014-02-05 Issue:4 Volume:5 Page:706-712
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

de Oliveira-Filho Antonio G. S.¹²,Ornellas Fernando R.¹,Bowman Joel M.²

Affiliation:

1. Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, São Paulo, São Paulo, 05508-000, Brazil

2. Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, United States

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz5000325

Reference82 articles.

1. Atmospheric Bromine and Ozone Perturbations in the Lower Stratosphere

2. Reactions of hydrogen atoms and hydroxyl radicals with hydrogen bromide

3. Rate measurements of reactions of OH by resonance absorption. Part 3.—Reactions of OH with H2, D2and hydrogen and deuterium halides

4. Kinetic investigation of the reactions of OH(X2Π) with the hydrogen halides, HCl, DCl, HBr and DBr by time-resolved resonance fluorescence (A2∑+–X2Π)

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