SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .3. RESONANCE INTEGRAL IN WOLFSBERG-HELMHOLZ METHOD

被引：37

作者：

CARROLL, DG

MCGLYNN, SP

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1966年 / 45卷 / 10期

关键词：

D O I：

10.1063/1.1727406

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：3827 / &

共 14 条

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[3] SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .I. ELECTRONIC STRUCTURE OF H2O AND H2S [J].

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CARROLL DG, TO BE PUBLISHED

[5] TEST OF MULLIKEN-WOLFSBERG-HELMHOLZ LCAO-MO TREATMENT OF METAL COMPLEXES [J].

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HAAS, TE .

INORGANIC CHEMISTRY, 1964, 3 (07) :1004-&

[6] SEMIEMPIRICAL MOLECULAR ORBITALS FOR GENERAL POLYATOMIC MOLECULES .2. 1-ELECTRON MODEL PREDICTION OF H-O-H ANGLE [J].

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CUSACHS LC, TO BE PUBLISHED

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

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

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IHAYA Y, 1964, ADV QUANTUM CHEM, V1, P203

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