Goddard, William A., III and Ladner, Robert C. (1969) The optimum orbitals for the H2 + D⇌H + HD exchange reaction. International Journal of Quantum Chemistry, 3 (S3A). pp. 63-66. ISSN 0020-7608. doi:10.1002/qua.560030711. https://resolver.caltech.edu/CaltechAUTHORS:20180712-130448241
Full text is not posted in this repository. Consult Related URLs below.
Use this Persistent URL to link to this item: https://resolver.caltech.edu/CaltechAUTHORS:20180712-130448241
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.
| Item Type: | Article | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Related URLs: |
| |||||||||
| ORCID: |
| |||||||||
| 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. 3823 | |||||||||
| Funders: |
| |||||||||
| Other Numbering System: |
| |||||||||
| Issue or Number: | S3A | |||||||||
| DOI: | 10.1002/qua.560030711 | |||||||||
| Record Number: | CaltechAUTHORS:20180712-130448241 | |||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20180712-130448241 | |||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | |||||||||
| ID Code: | 87806 | |||||||||
| Collection: | CaltechAUTHORS | |||||||||
| Deposited By: | Donna Wrublewski | |||||||||
| Deposited On: | 12 Jul 2018 23:02 | |||||||||
| Last Modified: | 15 Nov 2021 20:52 |
Repository Staff Only: item control page
