Four molecular structure parameters of sulfides and mercaptans were obtained, which were the molecular polarizability effect index(MPEI), the effective topological steric effect index(ETSEI), the number of carbon(N) and Wiener three-walk path(P_3).
研究了硫醚、硫醇在不同极性固定相上色谱保留指数与结构之间的关系,得到了影响硫醚、硫醇化合物Kov a ts保留指数的四个结构参数：分子极化效应指数MPEI、有效拓扑立体效应指数ETSEI、碳原子个数N及Wiener的路径数P_3。
Based on the molecular polarizability effect index,a formula of three parameters was proposed to calculate the boiling point of aliphatic aldehydes and alkanones.
本文讨论了分子极化效应指数[5]与脂肪族醛酮沸点的关系,力求寻找到一个适用范围广,并且具有分子结构特征的计算脂肪族醛酮沸点的计算公式。
Where the parameter SBL is the sum of bond length in the molecule, AMPEI is the difference of molecular polarizability effect index between the normal chain isomer and the branched chain isomer which bearing same carbon atom number for the paraffin or alcohol.
其中SBL是分子中所有化学键长度的总和,△MPEI是含有相同碳原子数目的(烷烃或者醇)支链异构体分子极化效应指数MPEI_支与直链异构体分子极化效应指数MPEI_直的差值。