DOI: 10.1063/1.445442. Dynamics of hydrogen atom and proton transfer reactions. Nearly degenerate asymmetric case

Dynamics of hydrogen atom and proton transfer reactions. Nearly degenerate asymmetric case

10.1063/1.445442

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A method for approximate treatment of collinear H atom or proton transfer reactions AH+B→A+HB which involve two nearly degenerate vibrational states is developed. The method is based on constructing a diabatic representation of the problem, i.e., one in which the reactant and the product vibrational states are distinguished as such throughout the collision. The diabatic representation is constructed with the aid of the adiabatic one discussed in an earlier paper. The treatment can also be applied to symmetric exchange reactions, in which case it yields good agreement with other results.

Bibliography

Babamov, V. K., Lopez, V., & Marcus, R. A. (1983). Dynamics of hydrogen atom and proton transfer reactions. Nearly degenerate asymmetric case. The Journal of Chemical Physics, 78(9), 5621â5628.

Authors 3

V. K. Babamov (first)
V. Lopez (additional)
R. A. Marcus (additional)

References 29 Referenced 60

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{'key': '2024020716340795700_r3a', 'first-page': '179', 'volume': '159', 'year': '1974', 'journal-title': 'Dokl. Akad. Nauk SSSR [Sov. Phys. Dokl.]'} / Dokl. Akad. Nauk SSSR [Sov. Phys. Dokl.] (1974)
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{'key': '2024020716340795700_r5'}
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Dates

Type	When
Created	22 years, 6 months ago (Feb. 28, 2003, 11:47 a.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 5:45 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 3:31 a.m.)
Issued	42 years, 4 months ago (May 1, 1983)
Published	42 years, 4 months ago (May 1, 1983)
Published Print	42 years, 4 months ago (May 1, 1983)

Funders 0

None

BibTeX

@article{Babamov_1983, title={Dynamics of hydrogen atom and proton transfer reactions. Nearly degenerate asymmetric case}, volume={78}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.445442}, DOI={10.1063/1.445442}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Babamov, V. K. and Lopez, V. and Marcus, R. A.}, year={1983}, month=may, pages={5621–5628} }

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