The NBO analysis revealed that the C-H BDEs of hydrocarbons were dependent on the hybridization of the parent compound, the hybridization of the radical, and the spin density of the radical. A good quantitative relationship among BDEs and the three parameters was found.

  • 通过自然键轨道法分析发现,烃类化合物的碳氢键解离能与母体的碳氢键杂化轨道成分p%,自由基奇电子轨道杂化成分p%及自由基的自旋密度三个参数之间存在较好的定量关系。

  • 互联网摘选 2025-01-20 18:53:45

    • 相关例句
    精确
    • 模糊
    • 词首
    • 词尾
    • 词义
    • 例句