AN MC-SCF STUDY OF [1,3] AND [1,2] SIGMATROPIC SHIFTS IN PROPENE

被引：66
作者：
BERNARDI, F
ROBB, MA
SCHLEGEL, HB
TONACHINI, G
机构：
[1] WAYNE STATE UNIV,DEPT CHEM,DETROIT,MI 48202
[2] UNIV BOLOGNA,IST CHIM G GIAMICIAN,I-40126 BOLOGNA,ITALY
[3] UNIV BOLOGNA,IST CHIM ORGAN,I-40126 BOLOGNA,ITALY
[4] UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1984年 / 106卷 / 05期
关键词：
D O I：
10.1021/ja00317a004
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：1198 / 1202
页数：5
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共 41 条
[1]   NITROSOMETHANE AND ITS NITRONE AND OXIME ISOMERS - A THEORETICAL-STUDY OF 1,2-INTRAMOLECULAR AND 1,3-INTRAMOLECULAR HYDROGEN SHIFTS [J].
ADENEY, PD ;
BOUMA, WJ ;
RADOM, L ;
RODWELL, WR .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (12) :4069-4074
[2]   A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY [J].
BAKER, H ;
ROBB, MA .
MOLECULAR PHYSICS, 1983, 50 (05) :1077-1082
[3]   A MULTI-REFERENCE APPROACH TO ENERGY DECOMPOSITION FOR MOLECULAR-INTERACTIONS [J].
BERNARDI, F ;
ROBB, MA .
MOLECULAR PHYSICS, 1983, 48 (06) :1345-1355
[4]   ORBITAL-SYMMETRY FORBIDDEN REACTIONS [J].
BERSON, JA .
ACCOUNTS OF CHEMICAL RESEARCH, 1972, 5 (12) :406-&
[5]   GROUND-STATES OF MOLECULES .22. INCORPORATION OF PARTIAL CONFIGURATION INTERACTION IN MINDO/2 AND ITS APPLICATION TO BOND DISSOCIATION ENERGIES AND SIGMATROPIC REARRANGEMENTS [J].
BINGHAM, RC ;
DEWAR, MJS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) :9107-9112
[6]   NITROSOACETALDEHYDE AND ITS ENOL AND OXIME ISOMERS - THEORETICAL INVESTIGATION OF AN ASYMMETRIC 1,5-SIGMATROPIC HYDROGEN SHIFT [J].
BOUMA, WJ ;
RADOM, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (13) :3487-3490
[7]   ABINITIO MOLECULAR-ORBITAL STUDIES OF SIGMATROPIC REARRANGEMENTS [J].
BOUMA, WJ ;
VINCENT, MA ;
RADOM, L .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (06) :767-777
[8]   VINYL ALCOHOL - STABLE MOLECULE [J].
BOUMA, WJ ;
POPPINGER, D ;
RADOM, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (19) :6443-6444
[9]   BETA-THIOXOKETONES .4. CONJUGATIVE EFFECTS ON ENOL-ENETHIOL TAUTOMERISM OF BETA-THIOXOKETONES [J].
CARLSEN, L ;
DUUS, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (01) :281-282
[10]   MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .15. RING-CLOSURE AND PROTON-TRANSFER IN FORMIC-ACID DIMER AND BETA-HYDROXYACROLEIN [J].
DELBENE, JE ;
KOCHENOUR, WL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (08) :2041-2046
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