• 1. Molecular Geometry: 分子的几何构型 | 分子几何 | 分子几何学 | 分子几何结构
• 2. equilibrium molecular geometry: 平衡几何构型
• 3. Molecular geometry optimization: 分子结构优化

更多释义

• 1.The molecular geometry and the fundamental vibrational frequency are insensitive to the computation conditions, while the total energy and bond energy are pretty sensitive.
  分子几何构型和振动基频对计算条件不太敏感，总能量和键能对计算结果较敏感。
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• 2."Nature's Geometry," the third chapter, suggests that we look for design principles that explicitly link different levels of scale from the molecular to the planetary.
  第三章的“自然的几何学”表明了我们所寻求的设计原则，即明确地连接了从分子到行星不同规模水平。
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• 3.By calculating the number of valence electron shell, we can gain the geometry array of the electronic pair, and then judge the molecular structures.
  计算出价层电子对数，得到电子对的几何排布，从而判断出分子的几何构型。
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