GENERAL AND UNIQUE PARTITIONING OF MOLECULAR ELECTRONIC-PROPERTIES INTO ATOMIC CONTRIBUTIONS

被引：90

作者：

CIOSLOWSKI, J

机构：

来源：

PHYSICAL REVIEW LETTERS | 1989年 / 62卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.62.1469

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：1469 / 1471

页数：3

共 13 条

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

BADER, RFW ;

NGUYENDANG, TT ;

TAL, Y .

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

[2] CALCULATION OF THE AVERAGE PROPERTIES OF ATOMS IN MOLECULES [J].

BIEGLERKONIG, FW ;

NGUYENDANG, TT ;

TAL, Y ;

BADER, RFW ;

DUKE, AJ .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (16) :2739-2751

[3]

CIOSLOWSKI J, IN PRESS

[4] EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].

CLARK, T ;

CHANDRASEKHAR, J ;

SPITZNAGEL, GW ;

SCHLEYER, PV .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301

[5] INTEGRATED SPATIAL ELECTRON POPULATIONS IN MOLECULES - APPLICATION TO SIMPLE MOLECULES [J].

COLLINS, JB ;

STREITWIESER, A .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1980, 1 (01) :81-87

[6]

Eisenlohr F., 1911, Z PHYS CHEM-LEIPZIG, V75, P585

[7]

Le Fevre R. J. W., 1938, DIPOLE MOMENTS THEIR

[8] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840

[9] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .4. BONDING AND ANTIBONDING IN LCAO AND VALENCE-BOND THEORIES [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) :2343-2346

[10] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .2. OVERLAP POPULATIONS, BOND ORDERS, AND COVALENT BOND ENERGIES [J].

MULLIKEN, RS .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1841-1846

← 1 2 →