Published March 15, 1975
| Published
Journal Article
Open
Quantum mechanical reactive scattering: An accurate three-dimensional calculation
- Creators
- Kuppermann, Aron
- Schatz, George C.
Abstract
Accurate three–dimensional (3–D) quantum–mechanical calculations of differential and total cross sections for the H + H2 exchange reaction on the Porter and Karplus potential energy surface have been performed. These are the first such calculations which are vibrationally and rotationally converged, and the results are believed to be accurate to 5% or better. They can serve as a comparison standard against which approximate methods can be tested.
Additional Information
© 1975 American Institute of Physics. Received 16 December 1974. We thank Ambassador College for generous use of their computational facilities. Work supported in part by the United States Air Force Office of Scientific Research. Work performed [by G.C.S.] in partial fulfillment of the requirements for the Ph.D. degree in chemistry at the California Institute of Technology. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No, 5022.Attached Files
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Additional details
- Eprint ID
- 11540
- Resolver ID
- CaltechAUTHORS:KUPjcp75
- United States Air Force Office of Scientific Research
- Created
-
2008-09-12Created from EPrint's datestamp field
- Updated
-
2021-11-08Created from EPrint's last_modified field
- Other Numbering System Name
- Arthur Amos Noyes Laboratory of Chemical Physics
- Other Numbering System Identifier
- 5022