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Computations of ESR coupling constants in organic radicals. III. Nitro Derivatives of the Benzyl Radical
Authors:H. F. Hameka
Abstract:We compute the ESR coupling constants and the geometries of ten nitro derivatives of the benzyl radical. We consider the three mononitrobenzyls, the six dinitrobenzyls and 2,4,6-trinitrobenzyl. The computations are based on the use of the Gaussian 82 Program Package with the STO-3G basis set. There are no experimental data available.
Keywords:
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