Theoretical investigations of the trimethylene biradical
P. Jeffrey Hay, William J. Hunt, William A. Goddard III
1972J. Am. Chem. Soc., 94(2), 638-64047cited
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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Hay, P. J., Hunt, W. J., & III, W. A. G. (1972). Theoretical investigations of the trimethylene biradical. *J. Am. Chem. Soc.*, *94*(2), 638-640. https://doi.org/10.1021/ja00757a057