The moleculargeometry 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。
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。
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.