Reaction rate constant: a theoretical description from local temperature-Reference-Cited by-同舟云学术

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Reaction rate constant: a theoretical description from local temperature

Published:2024 Issue:20 Volume:26 Page:14839-14846
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Valatoon Saba¹,Alipour Mojtaba¹^ORCID

Affiliation:

1. Department of Chemistry, School of Science, Shiraz University, Shiraz 71946-84795, Iran

Abstract

Local temperature, as a measure of the kinetic energy of an electron moving in the Kohn–Sham potential of an atom or a molecule, is proposed to describe the reaction rate constant.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP01251H

Reference75 articles.

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4. P. G.Tratnyek , Perspectives in Environmental Chemistry , Oxford University Press , New York , 1998

5. A theoretical and experimental kinetic study of phenyl radical addition to butadiene

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