ROTATIONAL INVARIANCE OF INDO THEORIES INCLUDING D-ORBITALS INTO BASIS SET

被引：31

作者：

FIGEYS, HP ^{[1
]}

GEERLINGS, P ^{[1
]}

VANALSENOY, C ^{[1
]}

机构：

[1] FREE UNIV BRUSSELS,DEPT ORGAN CHEM,B-1050 BRUSSELS,BELGIUM

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1977年 / 11卷 / 05期

关键词：

D O I：

10.1002/qua.560110502

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：705 / 713

页数：9

共 19 条

[1] APPLICATIONS OF INDO METHOD TO SOME RADICALS CONTAINING SECOND ROW ELEMENTS [J].

BENSON, HG ;

HUDSON, A .

THEORETICA CHIMICA ACTA, 1971, 23 (03) :259-&

[2]

BINGEL W, 1954, Z NATURFORSCH A, V9, P675

[3] ORIENTATIONAL INVARIANCE AND SIGNIFICANCE OF ELECTRON-DENSITIES OBTAINED WITH APPROXIMATE ALL-VALENCE ELECTRON WAVEFUNCTIONS [J].

FIGEYS, HP ;

GEERLINGS, P ;

VANALSENOY, C .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 :1375-1381

[4] D-ORBITAL INFLUENCE IN INDO CALCULATIONS OF NMR AND ESR PARAMETERS OF SULFUR HETEROCYCLICS [J].

GALASSO, V .

ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1973, A 28 (12) :1951-1953

[5]

KAUFMAN JJ, 1972, INT J QUANTUM CHEM, V6, P231

[6]

LOWDIN PO, 1953, J CHEM PHYS, V21, P374

[7]

LOWDIN PO, 1953, INT C THEOR PHYS JPN, P599

[8]

LOWDIN PO, 1956, ADV PHYS, V5, P3

[9] AN APPROXIMATE MO-LCAO-SCF METHOD INCLUDING OVERLAP [J].

MANNE, R .

THEORETICA CHIMICA ACTA, 1966, 6 (04) :299-&

[10] *QUELQUES ASPECTS DE LA THEORIE DES ORBITALES MOLECULAIRES (SUITE ET FIN) [J].

MULLIKEN, RS .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1949, 46 (11-1) :675-713

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