EXTENDING THE VSEPR MODEL THROUGH THE PROPERTIES OF THE LAPLACIAN OF THE CHARGE-DENSITY

被引:37
作者
MACDOUGALL, PJ [1 ]
HALL, MB [1 ]
BADER, RFW [1 ]
CHEESEMAN, JR [1 ]
机构
[1] MCMASTER UNIV,DEPT CHEM,HAMILTON L8S 4M1,ONTARIO,CANADA
来源
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1989年 / 67卷 / 11期
关键词
D O I
10.1139/v89-286
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1842 / 1846
页数:5
相关论文
共 10 条
[1]   A PHYSICAL BASIS FOR THE VSEPR MODEL OF MOLECULAR-GEOMETRY [J].
BADER, RFW ;
GILLESPIE, RJ ;
MACDOUGALL, PJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (22) :7329-7336
[2]   BONDED AND NONBONDED CHARGE CONCENTRATIONS AND THEIR RELATION TO MOLECULAR-GEOMETRY AND REACTIVITY [J].
BADER, RFW ;
MACDOUGALL, PJ ;
LAU, CDH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (06) :1594-1605
[3]   QUANTUM-THEORY OF ATOMS IN MOLECULES - DALTON REVISITED [J].
BADER, RFW ;
NGUYENDANG, TT .
ADVANCES IN QUANTUM CHEMISTRY, 1981, 14 :63-124
[4]  
Gillespie R. J., 1972, MOL GEOMETRY
[5]  
GILLESPIE RJ, 1957, Q REV CHEM SOC, V11, P239
[6]  
GILLESPIE RJ, 1986, CHEMISTRY, P763
[7]  
Huzinaga S., 1984, GAUSSIAN BASIS SETS
[8]   The atom and the molecule [J].
Lewis, GN .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1916, 38 :762-785
[9]  
MACDOUGALL PJ, 1989, THESIS MCMASTER U HA
[10]  
Wells A. F., 1984, STRUCTURAL INORGANIC