MNDOC STUDY OF REACTIVE INTERMEDIATES AND TRANSITION-STATES

被引:115
作者
THIEL, W
机构
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D O I
10.1021/ja00396a022
中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:1420 / 1425
页数:6
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[1]   CALCULATION OF STRUCTURES OF HYDROCARBONS CONTAINING DELOCALIZED ELECTRONIC SYSTEMS BY MOLECULAR MECHANICS METHOD [J].
ALLINGER, NL ;
SPRAGUE, JT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (12) :3893-3907
[3]   ACCURATE ABINITIO CALCULATIONS ON SINGLET-TRIPLET SEPARATION IN METHYLENE [J].
BAUSCHLICHER, CW ;
SHAVITT, I .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) :739-743
[4]   GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].
BINGHAM, RC ;
DEWAR, MJS ;
LO, DH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293
[5]   ELECTRONIC STATES OF PERIMETER PI SYSTEMS .4. ELECTRONIC SPECTRUM OF [18]ANNULENE [J].
BLATTMANN, HR ;
HEILBRONNER, E ;
WAGNIERE, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (18) :4786-+
[6]   POTENTIAL SURFACES FOR LOWEST SINGLET AND TRIPLET-STATES OF CYCLOBUTADIENE [J].
BORDEN, WT ;
DAVIDSON, ER ;
HART, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (02) :388-392
[7]   CRYSTAL STRUCTURE OF (18)ANNULENE .I. X-RAY STUDY [J].
BREGMAN, J ;
HIRSHFELD, FL ;
RABINOVICH, D ;
SCHMIDT, GMJ .
ACTA CRYSTALLOGRAPHICA, 1965, 19 :227-+
[8]   GENERATION AND TRAPPING OF BUTALENE [J].
BRESLOW, R ;
NAPIERSKI, J ;
CLARKE, TC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (21) :6275-6276
[9]   AB INITIO STUDY ON STABILITY AND GEOMETRY OF CYCLOBUTADIENE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) :354-+
[10]   THERMAL ISOMERIZATION OF CYCLOBUTENE [J].
CARR, RW ;
WALTERS, WD .
JOURNAL OF PHYSICAL CHEMISTRY, 1965, 69 (03) :1073-&