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• W2056573029 abstract "The absolute configuration of 1,3,5,7-tetramethyl-1,3-dihydroindol-2-one was determined by quantum chemical calculations of specific rotation angles with coupled–perturbed Hartree–Fock methods. The computation used molecular geometries obtained from ab initio calculations as well as from molecular mechanics and semi-empirical optimization. In addition to the dependence on geometry optimization strategies, the basis set dependence of the computed rotation angle was examined." @default.
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• W2056573029 date "1999-10-01" @default.
• W2056573029 modified "2023-10-17" @default.
• W2056573029 title "Determination of the absolute configuration of 1,3,5,7-tetramethyl-1,3-dihydroindol-2-one by optical rotation computation" @default.
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• W2056573029 doi "https://doi.org/10.1016/s0957-4166(99)00443-7" @default.
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