1) maximum overlap symmetry molecular orbital
最大重迭对称性分子轨道
1.
By using of the density matrix and net atomic charges obtained from calculation procedure of the maximum overlap symmetry molecular orbital (MOSMO) methods under INDO approximation presented in previous paper,the maximum bond order hybrid orbital (MBOHO) procedure has been performed.
采用已建立的 INDO级别上的最大重迭对称性分子轨道方法计算得到的密度矩阵和分子中各原子净电荷，求得分子的最大键级杂化轨道，进而研究了 C— N核自旋偶合常数，所得计算结果与实验数据一致，结果表明我们建立的理论方法是可行的。
2.
The model was applied to calculate 1JCX(X=C,H) of a number of hydrocarbons based on the maximum overlap symmetry molecular orbital(MOSMO) method under PM3 approximation and the maximum bond order hybrid orbital(MBOHO) procedure.
利用PM3级别最大重迭对称性分子轨道法和最大键级杂化轨道方法,计算了系列烃类化合物的杂化轨道和电荷分布,拟合出计算C-H及C-C偶合常数的简单关系式。
2) the symmetry of molecular orbital
分子轨道对称性
1.
The computer simulation of the symmetry of molecular orbital and chemical reaction mechanism;
分子轨道对称性和反应机理的计算机模拟
4) antisymmetrized molecular orbital (ASMO)
反对称分子轨道
5) analysis of frontier orbital symmetry
轨道对称性分析
6) orbitals symmetry
轨道对称性
1.
A judging method on matching of orbitals symmetry is put forward in this paper.
提出了一种轨道对称性匹配的判断方法。
补充资料：重徽迭照
1.犹济美。谓相继光耀。
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