CONTRIBUTIONS OF RESONANCE, HYBRIDIZATION AND NONBONDED INTERACTIONS TO STRUCTURE OF BUTADIENE

被引：9

作者：

BARTELL, LS ^{[1
]}

机构：

[1] UNIV TEXAS,DEPT PHYS,AUSTIN,TX 78712

来源：

TETRAHEDRON | 1978年 / 34卷 / 19期

关键词：

D O I：

10.1016/0040-4020(78)88008-9

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：2891 / 2892

页数：2

共 25 条

[1] CONFORMATIONAL ANALYSIS .69. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF HYDROCARBONS [J].

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WERTZ, DH .

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[2] ELECTRON DIFFRACTION STUDY OF STRUCTURES OF ETHANE AND DEUTEROETHANE [J].

BARTELL, LS ;

HIGGINBOTHAM, HK .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (03) :851-+

[3] DERIVATION OF PHYSICALLY SIGNIFICANT NONBONDED INTERACTION CONSTANTS IN HYDRIDES BY A MODIFIED UREY-BRADLEY ANALYSIS [J].

BARTELL, LS ;

KUCHITSU, K .

JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (04) :691-+

[4]

BARTELL LS, 1977, J CHEM PHYS, V67, P4168, DOI 10.1063/1.435395

[5] ON INFERENCES OF BOND CHARACTER FROM BOND LENGTH - IMPORTANT ROLE OF NONBONDED INTERACTIONS [J].

BARTELL, LS .

TETRAHEDRON, 1962, 17 (3-4) :177-&

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

BARTELL, LS .

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

[7] MOLECULAR GEOMETRY - BONDED VERSUS NONBONDED INTERACTIONS [J].

BARTELL, LS .

JOURNAL OF CHEMICAL EDUCATION, 1968, 45 (12) :754-+

[8] AB-INITIO STUDY OF SECONDARY ISOTOPE-EFFECTS ON MOLECULAR-STRUCTURE [J].

BARTELL, LS ;

FITZWATER, S ;

HEHRE, WJ .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (07) :3042-3045

[9] REPRESENTATIONS OF MOLECULAR-FORCE FIELDS .5. EQUILIBRIUM STRUCTURE OF METHANE [J].

BARTELL, LS ;

KUCHITSU, K .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (03) :1213-1215

[10] REPRESENTATIONS OF MOLECULAR FORCE-FIELDS - ETHANE - ABINITIO AND MODEL, HARMONIC AND ANHARMONIC [J].

BARTELL, LS ;

FITZWATER, S ;

HEHRE, WJ .

JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (11) :4750-4758

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