From these results, the potential function, which contains both ionic and covalent interaction, was established. In order to fit the parameters of the potential function, and the energy surface of these systems was constructed by energy simulation.

  • 基于此,本文建立了能同时反映离子型与共价型相互作用的势函数,并通过体系总能量模拟建立的势能曲面拟合了其他参数。

  • 互联网摘选 2025-01-20 11:43:37

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