To combine hardness semiempirical equations and population ionicity scale of a chemical bond makes the hardness predictions possible, in which all parameters can be calculated by first principles.

  • 将硬度的半经验公式与化学键的布居数离子性标度相结合,使完全采用第一性原理可计算的参数来预测硬度成为可能。

  • 互联网摘选 2025-01-20 19:15:33

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