DOI: 10.1063/1.1732453. General Potential-Energy Function for Exchange Reactions

General Potential-Energy Function for Exchange Reactions

10.1063/1.1732453

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A general potential-energy function for linear triatomic systems has been developed for use in connection with reaction kinetics calculations. The function is a generalization of the Morse function with a sufficient number of adjustable parameters to permit arbitrary fixing of the location and curvatures of the saddle point of the potential energy surface. The function reduces, of course, to the Morse function when one of the atoms is infinitely distant from the other two. Since the characteristics of the saddle region are adjustable, the function is particularly useful in connection with computations designed to test the effect of different shapes of potential energy surfaces upon reaction probabilities. The function is most readily used for symmetric reactions, but it can be further generalized to cover unsymmetric cases.

Bibliography

Wall, F. T., & Porter, R. N. (1962). General Potential-Energy Function for Exchange Reactions. The Journal of Chemical Physics, 36(12), 3256â3260.

Authors 2

Frederick T. Wall (first)
Richard N. Porter (additional)

References 23 Referenced 90

10.1063/1.1749798 / J. Chem. Phys. (1936)
10.1063/1.1748285 / J. Chem. Phys. (1951)
10.1063/1.1742187 / J. Chem. Phys. (1955)
10.1063/1.1744163 / J. Chem. Phys. (1958)
{'key': '2024020820465858800_r1d'}
10.1246/bcsj.32.1103 / Bull. Chem. Soc. Japan (1959)
10.1063/1.1749815 / J. Chem. Phys. (1936)
10.1063/1.1742043 / J. Chem. Phys. (1955)
10.1063/1.1730599 / J. Chem. Phys. (1959)
10.1063/1.1730545 / J. Chem. Phys. (1959)
10.1063/1.1742417 / J. Chem. Phys. (1955)
{'key': '2024020820465858800_r5a', 'first-page': '940', 'volume': '32', 'year': '1960', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1960)
10.1063/1.1731524 / J. Chem. Phys. (1960)
{'key': '2024020820465858800_r5c', 'first-page': '503', 'volume': '5', 'year': '1960', 'journal-title': 'Bull. Am. Phys. Soc.'} / Bull. Am. Phys. Soc. (1960)
10.1063/1.1732109 / J. Chem. Phys. (1961)
10.1063/1.1744471 / J. Chem. Phys. (1958)
10.1063/1.1732040 / J. Chem. Phys. (1961)
10.1063/1.1750173 / J. Chem. Phys. (1938)
{'key': '2024020820465858800_r7a'}
{'key': '2024020820465858800_r8'}
{'key': '2024020820465858800_r9'}
{'key': '2024020820465858800_r10'}
10.1063/1.1742248 / J. Chem. Phys. (1955)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 5, 2005, 10:19 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 3:47 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 10:08 a.m.)
Issued	63 years, 2 months ago (June 15, 1962)
Published	63 years, 2 months ago (June 15, 1962)
Published Print	63 years, 2 months ago (June 15, 1962)

Funders 0

None

BibTeX

@article{Wall_1962, title={General Potential-Energy Function for Exchange Reactions}, volume={36}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1732453}, DOI={10.1063/1.1732453}, number={12}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Wall, Frederick T. and Porter, Richard N.}, year={1962}, month=jun, pages={3256–3260} }

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