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。
"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。
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。
In the molecular structure of complex (4), Sn atoms are five-coordinated and present the distorted trigonal bipyramidal geometry structures.
配合物(4)中的锡原子为五配位，构成以锡原子为中心扭曲的三角双锥构型。
In the molecular structure of complex (4), Sn atoms are five-coordinated and present the distorted trigonal bipyramidal geometry structures.
配合物(4)中的锡原子为五配位，构成以锡原子为中心扭曲的三角双锥构型。
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