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本文按立体化学进程对σ-H迁移和σ-C迁移反应过渡态的轨道拓朴类型进行了分类,并计算了反应过渡态的分子轨道能级以及相应反应的活化能.
In this paper, the orbital topologies of σ-H transition and σ-C transition transition states are classified according to the stereochemical process. The orbital energy levels of the transition states and the activation energies of the corresponding reactions are calculated.