BONDED AND NONBONDED CHARGE CONCENTRATIONS AND THEIR RELATION TO MOLECULAR-GEOMETRY AND REACTIVITY

被引：640

作者：

BADER, RFW

MACDOUGALL, PJ

LAU, CDH

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1984年 / 106卷 / 06期

关键词：

D O I：

10.1021/ja00318a009

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1594 / 1605

页数：12

共 37 条

[1]

Bader R. F. W., 1969, Int.J. Quantum Chem, V3, P327, DOI [DOI 10.1002/QUA.560030308, 10.1002/qua.560030308]

[2] QUANTUM TOPOLOGY OF MOLECULAR CHARGE-DISTRIBUTIONS .1 [J].

BADER, RFW ;

ANDERSON, SG ;

DUKE, AJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (06) :1389-1395

[3] QUANTUM TOPOLOGY OF MOLECULAR CHARGE-DISTRIBUTIONS .2. MOLECULAR-STRUCTURE AND ITS CHANGE [J].

BADER, RFW ;

NGUYENDANG, TT ;

TAL, Y .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (09) :4316-4329

[4] DESCRIPTION OF CONJUGATION AND HYPERCONJUGATION IN TERMS OF ELECTRON DISTRIBUTIONS [J].

BADER, RFW ;

SLEE, TS ;

CREMER, D ;

KRAKA, E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (15) :5061-5068

[5] IONIC BOND [J].

BADER, RFW ;

HENNEKER, WH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (14) :3063-&

[6] QUANTUM TOPOLOGY OF MOLECULAR CHARGE-DISTRIBUTIONS .3. THE MECHANICS OF AN ATOM IN A MOLECULE [J].

BADER, RFW .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (06) :2871-2883

[7] VIRIAL FIELD RELATIONSHIP FOR MOLECULAR CHARGE DISTRIBUTIONS AND SPATIAL PARTITIONING OF MOLECULAR PROPERTIES [J].

BADER, RFW ;

BEDDALL, PM .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (07) :3320-+

[8] A TOPOLOGICAL THEORY OF MOLECULAR-STRUCTURE [J].

BADER, RFW ;

NGUYENDANG, TT ;

TAL, Y .

REPORTS ON PROGRESS IN PHYSICS, 1981, 44 (08) :893-948

[9] SPATIAL LOCALIZATION OF ELECTRONIC PAIR AND NUMBER DISTRIBUTIONS IN MOLECULES [J].

BADER, RFW ;

STEPHENS, ME .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (26) :7391-7399

[10] QUANTUM-THEORY OF ATOMS IN MOLECULES - DALTON REVISITED [J].

BADER, RFW ;

NGUYENDANG, TT .

ADVANCES IN QUANTUM CHEMISTRY, 1981, 14 :63-124

← 1 2 3 4 →