SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .I. ELECTRONIC STRUCTURE OF H2O AND H2S

被引：121

作者：

CARROLL, DG

ARMSTRONG, AT

MCGLYNN, SP

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1966年 / 44卷 / 05期

关键词：

D O I：

10.1063/1.1726955

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：1865 / +

页数：1

共 24 条

[1] The Electronic Structure of the Vanadyl Ion [J].

Ballhausen, C. J. ;

Gray, Harry B. .

INORGANIC CHEMISTRY, 1962, 1 (01) :111-122

[2] UNITED-ATOM APPROXIMATION APPLIED TO ARGONLIKE MOLECULES .I. HYDROGEN SULFIDE [J].

BANYARD, KE ;

HAKE, RB .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (10) :3221-&

[3] RECHERCHES THEORIQUES SUR LES COMPLEXES .I. UNE METHODE DE CALCUL DES ORBITALES MOLECULAIRES DANS LES COMPLEXES DES METAUX DE TRANSITION [J].

BERTHIER, G ;

MILLIE, P ;

VEILLARD, A .

JOURNAL DE CHIMIE PHYSIQUE, 1965, 62 (01) :8-&

[4]

CLARK LB, 1963, THESIS U WASHINGTON

[5] TEST OF MULLIKEN-WOLFSBERG-HELMHOLZ LCAO-MO TREATMENT OF METAL COMPLEXES [J].

COTTON, FA ;

HAAS, TE .

INORGANIC CHEMISTRY, 1964, 3 (07) :1004-&

[6] SEMIEMPIRICAL MOLECULAR ORBITALS FOR GENERAL POLYATOMIC MOLECULES .2. 1-ELECTRON MODEL PREDICTION OF H-O-H ANGLE [J].

CUSACHS, LC .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S157-+

[7]

CUSACHS LC, TO BE PUBLISHED

[8] 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

[9] SEMIEMPIRICAL MOLECULAR ORBITAL THEORY .1. PERMANGANATE + RELATED ANIONS [J].

FENSKE, RF ;

SWEENEY, CC .

INORGANIC CHEMISTRY, 1964, 3 (08) :1105-&

[10]

HARTREE DR, 1957, CALCULATION ATOMIC S, P88

← 1 2 3 →