INDO MO CALCULATIONS FOR FIRST ROW TRANSITION-METAL COMPLEXES

被引：94

作者：

CLACK, DW ^{[1
]}

机构：

[1] UNIV COLL CARDIFF,DEPT CHEM,POB 78,CARDIFF CF1 1XL,WALES

来源：

MOLECULAR PHYSICS | 1974年 / 27卷 / 06期

关键词：

D O I：

10.1080/00268977400101281

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：1513 / 1519

页数：7

共 17 条

[1] ELECTRONIC SPECTRA OF HEXAFLUOROMETALATE(III) COMPLEXES OF FIRST TRANSITION SERIES [J].

ALLEN, GC ;

ELSHARKA.GA ;

WARREN, KD .

INORGANIC CHEMISTRY, 1971, 10 (11) :2538-&

[2]

BABEL D, 1967, STRUCT BONDING BERLI, V3, P1

[3]

BALLHAUSEN CJ, 1962, INTRO LIGAND THEORY

[4] SPIN CONTAMINATION IN SPIN-UNRESTRICTED INDO MOLECULAR-ORBITAL WAVEFUNCTIONS [J].

BEVERIDGE, DL ;

DOBOSH, PA .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (12) :5532-+

[5] WAVEFUNCTIONS + BINDING ENERGIES OF TITANIUM MONOXIDE MOLECULE [J].

CARLSON, KD ;

NESBET, RK .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (04) :1051-&

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

CLACK, DW ;

YANDLE, JR ;

HUSH, NS .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (08) :3503-+

[7] MOLECULAR-ORBITAL CALCULATIONS ON TRANSITION-METAL COMPLEXES .5. ELECTRONIC-STRUCTURE OF CRO2-/4 AND CR2O3 [J].

CLACK, DW .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1972, 68 (10) :1672-+

[8]

CLACK DW, UNPUBLISHED RESULTS

[9] ELECTRONIC ABSORPTION SPECTRUM OF NI 2 IN CUBIC PEROVSKITE FLUORIDES .I. [J].

FERGUSON, J ;

GUGGENHEIM, HJ ;

WOOD, DL .

JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (03) :822-&

[10]

GRUEN DM, 1971, PROG INORG CHEM, V14, P119

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