SCF-MO-CNDO STUDY OF EQUILIBRIUM GEOMETRIES, FORCE CONSTANTS, AND BONDING ENERGIES - CNDO/BW .2. DIATOMICS

被引：63

作者：

BOYD, RJ

WHITEHEA.MA

机构：

来源：

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1972年 / 01期

关键词：

D O I：

10.1039/dt9720000078

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：78 / &

共 31 条

[1] GROUND STATE OF THE C2 MOLECULE [J].

BALLIK, EA ;

RAMSAY, DA .

JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (04) :1128-1128

[2] SCF-MO-CNDO STUDY OF EQUILIBRIUM GEOMETRIES, FORCE CONSTANTS, AND BONDING ENERGIES - CNDO/BW .1. PARAMETERIZATION [J].

BOYD, RJ ;

WHITEHEA.MA .

JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1972, (01) :73-&

[3] EVALUATION OF ONE-CENTRE COULOMB INTEGRALS IN SEMI-EMPIRICAL MOLECULAR ORBITAL THEORY [J].

BOYD, RJ ;

WHITEHEA.MA .

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1970, (15) :2469-&

[4] REFINEMENT OF SAVE-SCF-MO-CNDO THEORY .I. BONDING PARAMETERS [J].

BOYD, RJ ;

WHITEHEA.MA .

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (17) :2598-&

[5] FINE STRUCTURE OF THE SCHUMANN-RUNGE BANDS NEAR THE CONVERGENCE LIMIT AND THE DISSOCIATION ENERGY OF THE OXYGEN MOLECULE [J].

BRIX, P ;

HERZBERG, G .

CANADIAN JOURNAL OF PHYSICS, 1954, 32 (02) :110-&

[6]

Clementi E., 1965, TABLES ATOMIC FUNCTI

[7] FORCE CONSTANTS OF DIATOMIC MOLECULES .I. A GENERAL SEMITHEORETICAL APPROACH [J].

EMPEDOCL.P .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (11) :4474-+

[8] FORCE CONSTANTS .2. HETERONUCLEAR MOLECULES [J].

EMPEDOCLES, P .

THEORETICA CHIMICA ACTA, 1968, 10 (04) :331-+

[9] AN EMISSION BAND SYSTEM ATTRIBUTED TO THE MOLECULE NH+ [J].

FEAST, MW .

ASTROPHYSICAL JOURNAL, 1951, 114 (02) :344-&

[10] SLATER-CONDON PARAMETERS EVALUATED FROM ANALYTICAL HARTREE-FOCK FUNCTIONS [J].

FISK, C ;

FRAGA, S .

CANADIAN JOURNAL OF PHYSICS, 1968, 46 (09) :1140-&

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