ONE-CENTER QUANTITIES FOR ELEMENTS OF FIRST AND SECOND TRANSITION PERIOD IN MO-CNDO CALCULATIONS

被引：23

作者：

TONDELLO, E ^{[1
]}

机构：

[1] CONSIGLIO NAZL RECH,LAB CHIM & TECNOL RADIOELEMENTI,PADUA,ITALY

来源：

INORGANICA CHIMICA ACTA | 1974年 / 11卷 / 01期

关键词：

D O I：

10.1016/S0020-1693(00)93669-7

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

引用

页码：L5 / L6

页数：2

共 10 条

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[2] ALL-VALENCE ELECTRON CNDO CALCULATIONS ON TRANSITION-METAL COMPLEXES [J].

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YANDLE, JR ;

HUSH, NS .

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[3]

DELBENE J, 1968, J CHEM PHYS, V48, P1807

[4] SEMI-EMPIRICAL MOLECULAR ORBITAL THEORY - ONE-CENTRE QUANTITIES FOR ELEMENTS OF FIRST AND SECOND TRANSITION SERIES [J].

DISIPIO, L ;

TONDELLO, E ;

DEMICHEL.G ;

OLEARI, L .

CHEMICAL PHYSICS LETTERS, 1971, 11 (03) :287-&

[5] SLATER-CONDON PARAMETERS FOR ATOMS AND IONS OF SECOND TRANSITION METAL SERIES [J].

DISIPIO, L ;

TONDELLO, E ;

DEMICHEL.G ;

OLEARI, L .

INORGANIC CHEMISTRY, 1970, 9 (04) :927-&

[6] MAGIC FORMULA, STRUCTURE OF BOND ENERGIES AND ISOVALENT HYBRIDIZATION [J].

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[7] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS [J].

POPLE, JA ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3289-&

[8] CNDO INVESTIGATIONS OF ELECTRONIC-STRUCTURES OF TICL4 AND TICL6 [J].

TONDELLO, E .

INORGANICA CHIMICA ACTA, 1974, 10 (01) :65-67

[9]

TONDELLO E, 1967, COORDIN CHEM REV, V2, P65

[10]

TONDELLO E, 1974, GAZZ CHIM ITAL

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