The DOI matches its Crossref record; 13 of the 13 references it cites were found in a registry or an index.
A new tunneling path for reactions such as H+H2→H2+H
Open accessAbstract
The standard tunneling path in transition state theory for reactions such as H+H2→H2+H has been the so-called reaction path, namely the path of steepest ascent to the saddle point. This path is now known to give numerical results for the reaction probability which are in disagreement with the exact quantum mechanical ones by an order of magnitude at low tunneling energies. A new tunneling path corresponding to a line of vibrational endpoints is proposed. It is much shorter and is shown to give results in agreement with the quantum ones to within about a factor of two. A semiclassical basis for choosing this new path is given.
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Citations
Cites
Goldstein, H. (1951) · UCLA - Biblioteca de Ciencias y Tecnologia Felix Morales Bueno · Cited by 10,004
Semiclassical limit of quantum mechanical transition state theory for nonseparable systems
Miller, W. H. (1975) · The Journal of Chemical Physics · doi:10.1063/1.430676 · Cited by 669
Corrected bohr-sommerfeld quantum conditions for nonseparable systems
Keller, J. B. (1958) · Annals of Physics · doi:10.1016/0003-4916(58)90032-0 · Cited by 642
Classical S Matrix: Numerical Application to Inelastic Collisions
Miller, W. H. (1970) · The Journal of Chemical Physics · doi:10.1063/1.1674535 · Cited by 621
General Collision Theory Treatment for the Rate of Bimolecular, Gas Phase Reactions
Eliason, M. A., & Hirschfelder, J. O. (1959) · The Journal of Chemical Physics · doi:10.1063/1.1730216 · Cited by 308
Some Quantum-Mechanical Considerations in the Theory of Reactions Involving an Activation Energy
Hirschfelder, J. O., & Wigner, E. (1939) · The Journal of Chemical Physics · doi:10.1063/1.1750500 · Cited by 291
Classical S-Matrix Theory of Reactive Tunneling: Linear H+H2 Collisions
George, T. F., & Miller, W. H. (1972) · The Journal of Chemical Physics · doi:10.1063/1.1678610 · Cited by 189
Quantentheorie chemischer Reaktionen
Hofacker, L. (1963) · Zeitschrift für Naturforschung A · doi:10.1515/zna-1963-0510 · Cited by 188
On the Analytical Mechanics of Chemical Reactions. Classical Mechanics of Linear Collisions
Marcus, R. A. (1966) · The Journal of Chemical Physics · doi:10.1063/1.1727529 · Cited by 175
Self-citationChapman, S., Garrett, B. C., & Miller, W. H. (1975) · The Journal of Chemical Physics · doi:10.1063/1.431620 · Cited by 150
Cited by
Current Status of Transition-State Theory
Truhlar, D. G., Garrett, B. C., & Klippenstein, S. J. (1996) · The Journal of Physical Chemistry · doi:10.1021/jp953748q · Cited by 2,279
Lu, D.-H., Truong, T. N., Melissas, V. S., Lynch, G. C., Liu, Y.-P., Garrett, B. C., Steckler, R., Isaacson, A. D., Rai, S. N., Hancock, G. C., et al. (1992) · Computer Physics Communications · doi:10.1016/0010-4655(92)90012-n · Cited by 567
Gonzalez-Lafont, A., Truong, T. N., & Truhlar, D. G. (1991) · The Journal of Chemical Physics · doi:10.1063/1.461221 · Cited by 300
Metadata
- Authors
- Marcus, R. A., & Coltrin, M. E.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1977-09-15
- Volume
- 67
- Issue
- 6
- Pages
- 2609-2613
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2065425385
- Cited by
- 320
- References
- 13
- FWCI
- 5.01
- Type
- journal article
- Language
- en
- Open access
- bronze
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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