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. https://resolver.caltech.edu/CaltechAUTHORS:20180712-130448241
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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.
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| 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 | |||||||||
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| Issue or Number: | S3A | |||||||||
| 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: | 03 Oct 2019 20:00 |
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