DOI: 10.1063/1.436861. Accurate H3 dynamics on an accurate H3 potential surface

Accurate H3 dynamics on an accurate H3 potential surface

10.1063/1.436861

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Converged quantum close coupling calculations for the hydrogen exchange reaction on the chemically accurate potential surface of Siegbahn and Liu, using the fit of Truhlar and Horowitz, are reported. Comparisons are made with the Porter–Karplus potential energy surface.

Bibliography

Walker, R. B., Stechel, E. B., & Light, J. C. (1978). Accurate H3 dynamics on an accurate H3 potential surface. The Journal of Chemical Physics, 69(6), 2922â2923.

Authors 3

Robert B. Walker (first)
Ellen B. Stechel (additional)
John C. Light (additional)

References 12 Referenced 173

10.1063/1.430734 / J. Chem. Phys. (1975)
{'key': '2024020917164963700_r1a', 'first-page': '702', 'volume': '63', 'year': '1976', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1976)
10.1063/1.430733 / J. Chem. Phys. (1975)
10.1063/1.432919 / J. Chem. Phys. (1976)
10.1063/1.1725256 / J. Chem. Phys. (1964)
10.1063/1.436019 / J. Chem. Phys. (1978)
10.1063/1.1679454 / J. Chem. Phys. (1973)
10.1063/1.436018 / J. Chem. Phys. (1978)
10.1063/1.432306 / J. Chem. Phys. (1976)
10.1063/1.432836 / J. Chem. Phys. (1976)
{'key': '2024020917164963700_r8'}
{'key': '2024020917164963700_r9', 'first-page': '352', 'volume': '10', 'year': '1978', 'journal-title': 'Quantum Chem. Program Exchange'} / Quantum Chem. Program Exchange (1978)

Dates

Type	When
Created	22 years, 5 months ago (Feb. 27, 2003, 4:26 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 2:06 p.m.)
Indexed	1 year ago (July 31, 2024, 1:49 a.m.)
Issued	46 years, 11 months ago (Sept. 15, 1978)
Published	46 years, 11 months ago (Sept. 15, 1978)
Published Print	46 years, 11 months ago (Sept. 15, 1978)

Funders 0

None

BibTeX

@article{Walker_1978, title={Accurate H3 dynamics on an accurate H3 potential surface}, volume={69}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.436861}, DOI={10.1063/1.436861}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Walker, Robert B. and Stechel, Ellen B. and Light, John C.}, year={1978}, month=sep, pages={2922–2923} }

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