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Computational analyses of the five possible functional group rotations in 1,3,5-tris(pentaphenylphenyl)benzene (1) were conducted at three disparate levels of theory: AM1, HF/STO-3G, and B3LYP/6-31G(d). The ground state and transition state structures were located for all of the conformational reactions, and the free energies of activation for these processes were calculated. In addition, compound...
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