分子的立体结构
![分子的立体结构](../cache/1192898.jpg)
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它们的旋光方向和旋光度大小都是由分子的立体结构所决定的。
Their rotatory direction and optical rotation are both determined by the molecular stereostructure .
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通过对化合物进行量子化学计算,可以获得有关分子的电子结构和立体结构信息,如分子轨道能、原子的电荷密度、极化率以及分子的静电荷等。
It is an important way in QSAR / QSPR study of organic chemicals that the parameters of molecular structure , such as Molecule Orbit Energy , Atomic Charge Density , Polarizability and Molecule Net Charge , are calculated in quantum chemistry method .