The Reaction between Bromine and the Water Dimer and the Highly Exothermic Reverse Reaction-Reference-Cited by-同舟云学术

The Reaction between Bromine and the Water Dimer and the Highly Exothermic Reverse Reaction

Published:2015-06-04 Issue:2 Volume:37 Page:177-182
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Li Guoliang¹²³,Wang Hui¹,Li Qian-Shu¹,Xie Yaoming³,Schaefer Henry F.³

Affiliation:

1. MOE Key Laboratory of Theoretical Chemistry of the Environment; Center for Computational Quantum Chemistry, South China Normal University; Guangzhou 510006 China

2. Guangzhou Key Laboratory of Materials for Energy Conversion and Storage; School of Chemistry and Environment; South China Normal University; Guangzhou 510006 China

3. Center for Computational Quantum Chemistry; University of Georgia; Athens Georgia 30602

Funder

Guangdong Province Universities and Colleges Pearl River Scholar Funded Scheme (2012)

National Foundation for Study Abroad from the China Scholarships Council

National Natural Science Foundation of China

University of Georgia (US Department of Energy, Basic Energy Sciences, Chemical Sciences Division, Gas Phase Chemical Physics Program)

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23951/fullpdf

Reference46 articles.

1. 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

2. Anchoring the potential energy surface for the Br + H2O → HBr + OH reaction

3. Absolute rate constant for the reaction OH + HBr → H2O + Br

4. Ultra‐low temperature kinetics of neutral–neutral reactions: New experimental and theoretical results for OH+HBr between 295 and 23 K

5. Mode selective chemistry in the reactions of OH with HBr and HCl

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