SELF-CONSISTENT EXTENDED HUCKEL THEORY .1.

被引：21

作者：

KALMAN, BL ^{[1
]}

机构：

[1] UNIV MISSOURI,DEPT CHEM,ST LOUIS,MO 63121

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 59卷 / 09期

关键词：

D O I：

10.1063/1.1680736

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：5184 / 5188

页数：5

共 14 条

[1] EXTENDED HUCKEL THEORY AND SHAPE OF MOLECULES [J].

ALLEN, LC ;

RUSSELL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :1029-&

[2] VALENCE-SHELL CALCULATIONS ON POLYATOMIC MOLECULES .3. CALCULATION OF DIPOLE MOMENTS AND STRUCTURE OF SYDNONE [J].

BLOOR, JE ;

GILSON, BR ;

BILLINGS.FP .

THEORETICA CHIMICA ACTA, 1968, 12 (05) :360-+

[3] 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-+

[4] SELF-CONSISTENT METHODS IN HUCKEL THEORY [J].

HARRIS, FE .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (09) :4027-&

[5] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&

[6]

KALMAN BL, UNPUBLISHED RESULTS

[7] INTERNAL BARRIER IN ETHANE [J].

LIDE, DR .

JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (06) :1426-1427

[8] 1-CENTER EXPANSION SELF-CONSISTENT FIELD MOLECULAR ORBITAL ELECTRONIC WAVE FUNCTIONS FOR XHN MOLECULES [J].

MOCCIA, R .

JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (04) :910-&

[9] *QUELQUES ASPECTS DE LA THEORIE DES ORBITALES MOLECULAIRES [J].

MULLIKEN, RS .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1949, 46 (9-10) :497-542

[10] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].

POPLE, JA ;

SANTRY, DP ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+

← 1 2 →