APPROXIMATE MOLECULAR-ORBITAL METHOD

被引：27

作者：

ZERNER, M ^{[1
]}

机构：

[1] UNIV GUELPH,DEPT CHEM,GUELPH,ONTARIO,CANADA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 07期

关键词：

D O I：

10.1063/1.430814

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：2788 / 2799

页数：12

共 52 条

[1]

ALMHOF J, 1973, J ELECTRON SPECTROSC, V2, P51

[2] LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS [J].

BILLINGS.FP ;

BLOOR, JE .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (11) :5178-&

[3]

BODAR N, 1970, J AM CHEM SOC, V92, P3850

[4]

Brewer L., 1961, THERMODYNAMICS, V2nd

[5] SIMPLIFIED AB-INITIO CALCULATIONS FOR MOLECULAR SYSTEMS [J].

BROWN, RD ;

BURDEN, FR ;

WILLIAMS, GR .

THEORETICA CHIMICA ACTA, 1970, 18 (02) :98-&

[6] SIMPLIFIED AB-INITIO CALCULATIONS ON HYDROGEN-CONTAINING MOLECULES [J].

BROWN, RD ;

BURDEN, FR ;

WILLIAMS, GR ;

PHILLIPS, LF .

THEORETICA CHIMICA ACTA, 1971, 21 (02) :205-&

[7] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS [J].

CADE, PE ;

SALES, KD ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1973-&

[8]

CLEMENTI E, 1967, J CHEM PHYS, V46, P4737, DOI 10.1063/1.1840628

[9] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .10. GROUND STATE FOR ADENINE, CYTOSINE, GUANINE AND THYAMINE [J].

CLEMENTI, E ;

ANDRE, JM ;

ANDRE, MC ;

KLINT, D ;

HAHN, D .

ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1969, 27 (1-4) :493-&

[10] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .4. ALL-ELECTRON SCF WAVEFUNCTION FOR GROUND STATE OF PYRIDINE [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) :4731-&

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