Hay, P. J. and Hunt, W. J. and Goddard, W. A., III (1972) Theoretical investigations of the trimethylene biradical. Journal of the American Chemical Society, 94 (2). pp. 638-640. ISSN 0002-7863. doi:10.1021/ja00757a057. https://resolver.caltech.edu/CaltechAUTHORS:20210709-153802732
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Abstract
There is currently much interest in establishing the mechanisms and potential surfaces involved in the geometric and structural isomerizations of small cyclic compounds such as cyclopropane. We report here the results of ab initio calculations on several configurations of trimethylene (open cyclopropane) using the generalized valence bond (GVB) method.
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| Additional Information: | © 1976 American Chemical Society Received September 7, 1971. Partially supported by a grant (PF-013) front the President’s Fund of the California Institute of Technology and by a grant (GP15423) from the National Science Foundation. | ||||||||||||
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| Issue or Number: | 2 | ||||||||||||
| DOI: | 10.1021/ja00757a057 | ||||||||||||
| Record Number: | CaltechAUTHORS:20210709-153802732 | ||||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20210709-153802732 | ||||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||||
| ID Code: | 109757 | ||||||||||||
| Collection: | CaltechAUTHORS | ||||||||||||
| Deposited By: | Donna Wrublewski | ||||||||||||
| Deposited On: | 09 Jul 2021 17:18 | ||||||||||||
| Last Modified: | 16 Nov 2021 19:37 |
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