SCF MO CNDO/2 CONSIDERATIONS ON DIELS-ALDER REACTION - ETHYLENE-CIS-BUTADIENE SYSTEM

被引:47
作者
KIKUCHI, O
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D O I
10.1016/S0040-4020(01)98070-6
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
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页码:2791 / &
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[1]   ORGANIC QUANTUM CHEMISTRY .24. A THEORETICAL STUDY OF STEREOCHEMISTRY OF SE2 AND SN2 REACTIONS [J].
ALLINGER, NL ;
TAI, JC ;
WU, FT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :579-&
[2]   MINDO/2 STUDY OF COPE REARRANGEMENT [J].
BROWN, A ;
DEWAR, MJS ;
SCHOELLER, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (18) :5516-+
[3]   A REPARAMETRIZATION OF CNDO METHOD .I. HYDROCARBONS [J].
FISCHER, H ;
KOLLMAR, H .
THEORETICA CHIMICA ACTA, 1969, 13 (03) :213-&
[4]   TRIMETHYLENE AND ADDITION OF METHYLENE TO ETHYLENE [J].
HOFFMANN, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (06) :1475-&
[5]   ON DEVELOPMENT OF SEMIEMPIRICAL METHODS IN MO FORMALISM [J].
JUG, K .
THEORETICA CHIMICA ACTA, 1969, 14 (02) :91-&
[6]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+
[7]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3289-&
[8]   CALCULATION OF EQUILIBRIUM BOND LENGTHS BY CNDO METHOD [J].
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) :1876-&
[9]   SEMI-EMPIRICAL ALL VALENCE ELECTRONS SCF-MO-CNDO THEORY .2. INTERATOMIC PARAMETERS AND BONDING ENERGIES [J].
SICHEL, JM ;
WHITEHEA.MA .
THEORETICA CHIMICA ACTA, 1968, 11 (03) :220-&
[10]   APPLICATION OF POPLE-SANTRY-SEGAL COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP (CNDO) METHOD TO SOME HYDROCARBONS AND THEIR CATIONS [J].
WIBERG, KB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (01) :59-+