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AB initio molecular orbital calculations on the pentadienyl radical |
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| Authors: | A Hinchliffe JC Cobb |
| Institution: | Chemistry Department, UMIST, Manchester M60 1QD Gt. Britain |
| Abstract: | In this publication we present the results of ab initio Gaussian orbital calculations of ESR coupling constants in the pentadienyl radical. The results are compared with experiment and with the results of similar semi-empirical calculations. |
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