CRITERIA FOR CONSTRUCTION OF GOOD SELF-CONSISTENT-FIELD MOLECULAR ORBITAL WAVE FUNCTIONS, AND SIGNIFICANCE OF LCAO-MO POPULATION ANALYSIS

被引：669

作者：

MULLIKEN, RS

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1962年 / 36卷 / 12期

关键词：

D O I：

10.1063/1.1732476

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：3428 / &

共 46 条

[1] BASIS FUNCTIONS FOR ABINITIO CALCULATIONS [J].

ALLEN, LC ;

KARO, AM .

REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :275-285

[2] The thermal decomposition of ethylene iodide [J].

Arnold, LB ;

Kistiakowsky, GB .

JOURNAL OF CHEMICAL PHYSICS, 1933, 1 (02) :166-169

[3] ON THE EFFECTS OF INTRAMOLECULAR VANDERWAALS FORCES [J].

BARTELL, LS .

JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (03) :827-831

[4] ADDITIVITY RULES FOR THE ESTIMATION OF MOLECULAR PROPERTIES - THERMODYNAMIC PROPERTIES [J].

BENSON, SW ;

BUSS, JH .

JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (03) :546-572

[5] THE THERMODYNAMICS OF BROMINATION OF TOLUENE AND THE HEAT OF FORMATION OF THE BENZYL RADICAL [J].

BENSON, SW ;

BUSS, JH .

JOURNAL OF PHYSICAL CHEMISTRY, 1957, 61 (01) :104-109

[6]

BENSON SW, 1961, J CHEM PHYS, V34, P541

[7] Rates of pyrolysis and bond energies of substituted organic iodides (Part I). [J].

Butler, ET ;

Polanyi, M .

TRANSACTIONS OF THE FARADAY SOCIETY, 1943, 39 :0019-0035

[8] SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) :33-&

[9] ELECTRONIC STRUCTURE OF AMMONIA [J].

DUNCAN, ABF .

JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) :423-429

[10] STUDIES IN MOLECULAR STRUCTURE .6. POTENTIAL CURVE FOR INTERACTION OF 2 HYDROGEN ATOMS IN LCAO MO SCF APPROXIMATION [J].

FRAGA, S ;

RANSIL, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (06) :1967-&

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