The Role of Zero-Point Vibration and Reactant Attraction in Exothermic Bimolecular Reactions with Submerged Potential Barriers: Theoretical Studies of the R + HBr → RH + Br (R = CH3, HO) Systems-Reference-Cited by-同舟云学术

The Role of Zero-Point Vibration and Reactant Attraction in Exothermic Bimolecular Reactions with Submerged Potential Barriers: Theoretical Studies of the R + HBr → RH + Br (R = CH3, HO) Systems

Published:2021-09-20 Issue:38 Volume:125 Page:8386-8396
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Csorba Benjámin¹,Szabó Péter¹,Góger Szabolcs¹,Lendvay György¹²^ORCID

Affiliation:

1. Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences, Magyar tudósok krt. 2., H-1117 Budapest, Hungary

2. Center for Natural Sciences, Faculty of Engineering, University of Pannonia, Egyetem u. 10. Veszprém, 8200 Hungary

Funder

European Regional Development Fund

MagyarorszÃ¡g KormÃ¡nya

National Research, Development and Innovation Fund of Hungary

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c05839

Reference57 articles.

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3. Communication: Some critical features of the potential energy surface for the Cl + H2O → HCl + OH forward and reverse reactions

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

5. Spin–orbit corrected potential energy surface features for the I (2P3/2) + H2O → HI + OH forward and reverse reactions

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