Published January 13, 1969
| public
Journal Article
The optimum orbitals for the H2 + D⇌H + HD exchange reaction
Chicago
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Abstract
An initio calculations of the optimum generalized self‐consistent field orbitals of H2D have been carried out at various points along the reaction path for the three‐center exchange reaction, H2 + D⇋H + HD. The emphasis here is on a qualitative interpretation of the changes in these orbitals during the reaction.
Additional Information
© 1969 John Wiley & Sons, Inc. Partially supported by a Grant (GP-6965) from the National Science Foundation. Arthur Amos Noyes Laboratory of Chemical Physics Contribution No. 3823Additional details
- Eprint ID
- 87806
- Resolver ID
- CaltechAUTHORS:20180712-130448241
- NSF
- GP-6965
- Alfred P. Sloan Foundation
- NSF Predoctoral Fellowship
- Created
-
2018-07-12Created from EPrint's datestamp field
- Updated
-
2021-11-15Created from EPrint's last_modified field
- Other Numbering System Name
- Arthur Amos Noyes Laboratory of Chemical Physics
- Other Numbering System Identifier
- 3823