VALENCE-BOND STUDIES OF AH2 MOLECULES .2. MINIMAL STO BASIS SET CALCULATIONS ON H2O

被引：13

作者：

MACLAGAN, RGAR ^{[1
]}

SCHNUELLE, GW ^{[1
]}

机构：

[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218

来源：

THEORETICA CHIMICA ACTA | 1977年 / 46卷 / 03期

关键词：

D O I：

10.1007/BF00578226

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：165 / 172

页数：8

共 26 条

[1] A CRITIQUE OF PAULI REPULSIONS AND MOLECULAR GEOMETRY [J].

BADER, RFW ;

PRESTON, HJT .

CANADIAN JOURNAL OF CHEMISTRY, 1966, 44 (10) :1131-&

[2] BINDING REGIONS IN POLYATOMIC MOLECULES + ELECTRON DENSITY DISTRIBUTIONS [J].

BADER, RFW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (23) :5070-&

[3] A THEORETICAL INVESTIGATION OF WATER MOLECULE [J].

BISHOP, DM ;

RANDIC, M .

MOLECULAR PHYSICS, 1966, 10 (06) :517-+

[4]

CHIPMAN DM, UNPUBLISHED

[5] RESONANCE VALENCE STATE [J].

CRAIG, DP ;

THIRUNAMACHANDRAN, T .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1968, 303 (1473) :233-+

[6] IONIC TERMS IN VALENCE STATES [J].

CRAIG, DP ;

THIRUNAMACHANDRAN, T .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1970, 317 (1530) :341-+

[7] ELECTRON CORRELATION AND CHEMICAL CONSEQUENCES [J].

DICKENS, PG ;

LINNETT, JW .

QUARTERLY REVIEWS, 1957, 11 (04) :291-312

[8]

Edmiston C., 1966, QUANTUM THEORY ATOMS, P263

[9] MOLECULAR CALCULATIONS .1. LCAO MO SELF-CONSISTENT FIELD TREATMENT OF THE GROUND STATE OF H2O [J].

ELLISON, FO ;

SHULL, H .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) :2348-2357

[10] INORGANIC STEREOCHEMISTRY [J].

GILLESPIE, RJ ;

NYHOLM, RS .

QUARTERLY REVIEWS, 1957, 11 (04) :339-380

← 1 2 3 →