CHARGE ITERATIVE RELATIVISTIC EXTENDED HUCKEL THEORY AND ITS APPLICATION TO THE DIGERMENE, DISTANNENE AND DIPLUMBENE SYSTEMS

被引：14

作者：

GLEGHORN, JT

HAMMOND, NDA

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 105卷 / 06期

关键词：

D O I：

10.1016/0009-2614(84)85669-9

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：621 / 624

页数：4

共 23 条

[1] ELECTRONIC STRUCTURE OF AMINOBORANE - A COMPARISON BETWEEN NONEMPIRICAL AND SEMIEMPIRICAL THEORETICAL METHODS [J].

ARMSTRONG, DR ;

DUKE, BJ ;

PERKINS, PG .

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (17) :2566-+

[2] SEMI-QUANTITATIVE AND SEMIEMPIRICAL VERSIONS IN QUASI-RELATIVISTIC SCF-MO-LCAO METHODS - NUMERICAL-CALCULATIONS FOR (PTCL6)2- [J].

BERSUKER, IB ;

BUDNIKOV, SS ;

LEIZEROV, BA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1977, 11 (04) :543-559

[3] SELF-CONSISTENT MODIFIED EXTENDED HUCKEL (SC-MEH) CALCULATIONS ON HEAVY-METAL SYSTEMS .1. PLATINUM(II) TETRAGONAL PLANAR COMPLEXES WITH AND WITHOUT RELATIVISTIC EFFECTS [J].

CARSEY, TP ;

BOUDREAUX, EA .

THEORETICA CHIMICA ACTA, 1980, 56 (03) :211-230

[4] ELECTRONIC-STRUCTURE OF B2H5+ ION [J].

DUKE, BJ ;

STEPHENS, DG .

THEORETICA CHIMICA ACTA, 1972, 26 (04) :381-&

[5] A NEW METHOD FOR THE PREPARATION OF BIS(BISTRIMETHYLSILYLMETHYL)TIN(II)SN[CH(SIME3)2]2 AND ITS MOLECULAR-STRUCTURE HAS BEEN DETERMINED BY GAS ELECTRON-DIFFRACTION - PREDICTION OF NON-PLANAR, TRANS-FOLDED GROUND-STATE STRUCTURES FOR DIGERMENE (GE2H4) AND DISTANNENE (SN2H4 [J].

FJELDBERG, T ;

HAALAND, A ;

LAPPERT, MF ;

SCHILLING, BER ;

SEIP, R ;

THORNE, AJ .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1982, (24) :1407-1408

[6] SELF-CONSISTENT METHODS IN HUCKEL THEORY [J].

HARRIS, FE .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (09) :4027-&

[7] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].

HOFFMANN, R .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&

[8] RELATIVISTICALLY PARAMETERIZED EXTENDED HUCKEL THEORY [J].

LOHR, LL ;

PYYKKO, P .

CHEMICAL PHYSICS LETTERS, 1979, 62 (02) :333-338

[9]

LOHR LL, 1981, QCPE, V13, P387

[10]

Malli G. L., 1983, Relativistic Effects in Atoms, Molecules and Solids. Proceedings of a NATO Advanced Study Institute, P183

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