Published January 13, 1969
| Version public
Journal Article
The optimum orbitals for the H2 + D⇌H + HD exchange reaction
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
Identifiers
- Eprint ID
- 87806
- Resolver ID
- CaltechAUTHORS:20180712-130448241
Funding
- NSF
- GP-6965
- Alfred P. Sloan Foundation
- NSF Predoctoral Fellowship
Dates
- Created
-
2018-07-12Created from EPrint's datestamp field
- Updated
-
2021-11-15Created from EPrint's last_modified field
Caltech Custom Metadata
- Other Numbering System Name
- Arthur Amos Noyes Laboratory of Chemical Physics
- Other Numbering System Identifier
- 3823