On apparent barrier-free reactions
- 28 November 2020
- journal article
- Published by Universidade Federal de Juiz de Fora in QUARKS: Brazilian Electronic Journal of Physics, Chemistry and Materials Science
- Vol. 3 (1), 3-8
- https://doi.org/10.34019/2674-9688.2020.v3.30967
Abstract
Rate coefficients of bi-molecular chemical reactions are fundamental for kinetic models. The rate coefficient dependence on temperature is commonly extracted from the analyses of the reaction minimum energy path. However, a full dimension study of the same reaction may suggest a different asymptotic low-temperature limit in the rate constant than the obtained from the energetic profile.Keywords
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