A molecular connectivity study of electron density in alkanes |
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| Authors: | Lowell H. Hall Lemont B. Kier |
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| Affiliation: | Eastern Nazarene College, Quincy, Massachusetts, U.S.A.;Department of Pharmaceutical Chemistry, Medical College of Virginia, Virginia Commonwealth University, Richmond, Virginia, U.S.A. |
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| Abstract: | Molecular connectivity indices have been developed which characterize contributions of neighboring atoms to the CNDO/2 calculated electronic charge of a carbon atom. An analysis of these indices reveals their ability to predict this charge to 0.001 electron. |
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