AN UNRESTRICTED CNDO-MO CALCULATION OF VC14

被引：19

作者：

COPELAND, DA

BALLHAUS.CJ

机构：

来源：

THEORETICA CHIMICA ACTA | 1971年 / 20卷 / 04期

关键词：

D O I：

10.1007/BF00527187

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：317 / +

共 39 条

[1] CALCULATIONS ON THE IONS AND LOWEST PI-TRIPLET STATES OF SOME CONJUGATED HYDROCARBONS [J].

AMOS, AT .

MOLECULAR PHYSICS, 1962, 5 (01) :91-104

[2] SINGLE DETERMINANT WAVE FUNCTIONS [J].

AMOS, AT ;

HALL, GG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+

[3] LIGAND-FIELD TREATMENT OF JAHN-TELLER DISTORTION IN VCL4 [J].

BALLHAUSEN, CJ ;

DEHEER, J .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (12) :4304-+

[4]

BALLHAUSEN CJ, 1961, ACTA CHEM SCAND, V15, P5

[5] MOLECULAR ORBITAL THEORY FOR OCTAHEDRAL AND TETRAHEDRAL METAL COMPLEXES [J].

BASCH, H ;

VISTE, A ;

GRAY, HB .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :10-+

[6] A CNDO-MO CALCULATION OF TICL4 [J].

BECKER, CAL ;

DAHL, JP .

THEORETICA CHIMICA ACTA, 1969, 14 (01) :26-&

[7]

BECKER CAL, 1970, 159 NAT ACS M HOUST

[8] VCL4 VAPOR SPECTRUM AND JAHN-TELLER SPLITTING [J].

BLANKENSHIP, FA ;

BELFORD, RL .

JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (03) :633-&

[9] ELECTRON SPIN RESONANCE OF SOME VANADIUM AND TITANIUM COMPOUNDS [J].

CHIEN, JC ;

BOSS, CR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (18) :3767-&

[10] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

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