Study of gas-phase reactions within the modified Marcus model. III. CH4 + CH3 → CH3 + CH4. 250

Study of gas-phase reactions within the modified Marcus model. III. CH4 + CH3 → CH3 + CH4. 250–2000 K

Published:2020-06 Issue: Volume:1179 Page:112767
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Romanskii Igor^ORCID

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference19 articles.

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3. Reduced dimensionality quantum dynamics of CH3 + CH4 → CH4 + CH3: symmetric hydrogen exchange on an ab initio potential;Remmert;J. Phys. Chem. A,2009

4. Extremely elevated room-temperature kinetic isotope effects quantify the critical role of barrier width in enzymatic C-H activation;Hu;J. Am. Chem. Soc.,2014

5. On the theory of oxidation‐reduction reactions involving electron transfer. II. Applications to data on the rates of isotopic exchange reactions;Marcus;J. Chem. Phys.,1957

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1. All-Atom Photoinduced Charge Transfer Dynamics in Condensed Phase via Multistate Nonlinear-Response Instantaneous Marcus Theory;Journal of Chemical Theory and Computation;2024-04-24

2. Study of gas-phase reactions within the modified Marcus model. IV. Arrhenius equation for the reaction CH4 + CH3 → CH3 + CH4;Reaction Kinetics, Mechanisms and Catalysis;2022-06-24

3. Erratum to “Study of gas-phase reactions within the modified Marcus model. III. CH4 + CH3 → CH3 + CH4. 250–2000 K” [Comput. Theoret. Chem. 1179 (2020) 112769];Computational and Theoretical Chemistry;2021-10