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用量子化学计算方法MNCO和AM1研究了具有Oh对称性的碳笼烯C32和碳笼烷C32H32的几何结构和电子结构及其稳定性,并在AM1水平下,讨论C32的基态性质和分子振动.
The geometrical and electronic structures of C-Clay and Cysteine C32H32 with Oh symmetry were studied by quantum chemical calculation method MNCO and AM1. The ground-state properties and molecular vibration of C32 were discussed at AM1 level.