Galvinoxyl alone, Def2-SVPD, SCRF=DCM, G = -1278.418870
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Galvinoxyl (-1278.418870 + Iodobenzene (-529.126319) + CC (-75.791993) = -1,883.337182 1,2-TS = -1883.404654 Difference 42.3 kca/mol. Corrected for error in CC = 14.4 kcal/mol.
提供机构:
Imperial College London
创建时间:
2021-01-02



