Graphical linking of a MO multicenter bond index to VB structures

被引：28

作者：

Bollini, CG

Giambiagi, M

de Giambiagi, MS

de Figueiredo, AP

机构：

[1] Ctr Brasileiro Pesquisas Fis, BR-22290180 Rio De Janeiro, Brazil

[2] Natl Univ La Plata, Fac Ciencias Exactas, RA-1900 La Plata, Argentina

[3] Comis Invest Pcia Buenos Aires, La Plata, Argentina

来源：

JOURNAL OF MATHEMATICAL CHEMISTRY | 2000年 / 28卷 / 1-3期

关键词：

multicenter bond index; VB structures; benzene;

D O I：

10.1023/A:1018844410832

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The multicenter bond index proposed within the MO framework depends on the order of the centers for which it is calculated, outside from the 3-c case, For the 6-c case, the eventually different values are 60. A graphical approach links the MO values to VB structures. Benzene, chosen as our paradigm for the 6-c case, illustrates our proposition.

引用

页码：71 / 81

页数：11

共 18 条

[11]

Ponec R, 1996, CROAT CHEM ACTA, V69, P941

[12] 3-CENTER BOND INDEX [J].