EFFECT OF A GENERAL NONSINGULAR TRANSFORMATION OF THE AO BASIS SET ON MO CALCULATIONS OF VALENCY

被引：24

作者：

KAR, T ^{[1
]}

BEHERA, L ^{[1
]}

SANNIGRAHI, AB ^{[1
]}

机构：

[1] INDIAN INST TECHNOL,KHARAGPUR 721302,W BENGAL,INDIA

来源：

CHEMICAL PHYSICS LETTERS | 1989年 / 163卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(89)80028-4

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：157 / 164

页数：8

共 31 条

[21] BOND ORDER AND VALENCE - RELATIONS TO MULLIKEN POPULATION ANALYSIS [J].

MAYER, I .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1984, 26 (01) :151-154

[22]

Mayer I., 1981, J MOL STRUC-THEOCHEM, V149, P81

[23] COMMENTS ON THE QUANTUM-THEORY OF VALENCE AND BONDING - CHOOSING BETWEEN ALTERNATIVE DEFINITIONS - REPLY [J].

NATIELLO, MA ;

MEDRANO, JA .

CHEMICAL PHYSICS LETTERS, 1984, 110 (04) :445-446

[24] ON THE QUANTUM-THEORY OF VALENCE AND BONDING FROM THE ABINITIO STANDPOINT [J].

NATIELLO, MA ;

MEDRANO, JA .

CHEMICAL PHYSICS LETTERS, 1984, 105 (02) :180-182

[25] DIRECT CONSEQUENCES OF THE BOND INDEX STATISTICAL INTERPRETATION [J].

PITANGA, P ;

GIAMBIAGI, M ;

DEGIAMBIAGI, MS .

CHEMICAL PHYSICS LETTERS, 1986, 128 (04) :411-413

[26] NATURAL-POPULATION ANALYSIS [J].

REED, AE ;

WEINSTOCK, RB ;

WEINHOLD, F .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (02) :735-746

[27]

Sannigrahi A. B., 1988, J MOL STRUC-THEOCHEM, V180, P149

[28] VALENCY CORRELATION DIAGRAMS [J].

SIDDARTH, P ;

GOPINATHAN, MS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (01) :96-104

[29]

SIDDARTH P, 1986, J MOL STRUCT, V148, P101

[30]

Szabo A., 1982, MODERN QUANTUM CHEM

← 1 2 3 4 →