DIABATIC SURFACE METHODS FOR THE STUDY OF THE REACTIVITY OF ORGANIC-MOLECULES .1. CYCLOADDITION OF 2 ETHYLENES

被引：16

作者：

BERNARDI, F

OLIVUCCI, M

ROBB, MA

TONACHINI, G

机构：

[1] UNIV BOLOGNA,IST CHIM ORGAN,I-40100 BOLOGNA,ITALY

[2] UNIV LONDON QUEEN ELIZABETH COLL,DEPT CHEM,LONDON W8 7AH,ENGLAND

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1986年 / 108卷 / 07期

关键词：

D O I：

10.1021/ja00267a008

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1408 / 1415

页数：8

共 22 条

[1] AN MC-SCF STUDY OF THE THERMAL CYCLO-ADDITION OF 2 ETHYLENES
BERNARDI, F
BOTTONI, A
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TONACHINI, G
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (08) : 2260 - 2264
[2] A MULTI-REFERENCE APPROACH TO ENERGY DECOMPOSITION FOR MOLECULAR-INTERACTIONS
BERNARDI, F
ROBB, MA
[J]. MOLECULAR PHYSICS, 1983, 48 (06) : 1345 - 1355
[3] AN MC-SCF STUDY OF [1,3] AND [1,2] SIGMATROPIC SHIFTS IN PROPENE
BERNARDI, F
ROBB, MA
SCHLEGEL, HB
TONACHINI, G
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (05) : 1198 - 1202
[4] A MULTIREFERENCE ENERGY DECOMPOSITION SCHEME WITH RESPECT TO FRAGMENT VALENCE STATES
BERNARDI, F
BOTTONI, A
ROBB, MA
[J]. THEORETICA CHIMICA ACTA, 1984, 64 (04): : 259 - 263
[5] FRAGMENTS IN MOLECULES - THE DECOMPOSITION OF REACTION SURFACES INTO DIABATIC COMPONENTS IN THE FRAMEWORK OF AN AB-INITIO CI APPROACH
BERNARDI, F
ROBB, MA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (01) : 54 - 58
[6] DIRECT MINIMIZATION IN MC SCF THEORY - THE QUASI-NEWTON METHOD
EADE, RHA
ROBB, MA
[J]. CHEMICAL PHYSICS LETTERS, 1981, 83 (02) : 362 - 368
[7] Epiotis ND, 1977, TOP CURR CHEM, P70
[8] Inertia and driving force of chemical reactions.
Evans, MG
Polanyi, M
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1938, 34 (01): : 0011 - 0023
[9] The activation energy of diene association reactions.
Evans, MG
Warhurst, E
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1938, 34 (01): : 0614 - 0624
[10] APPLICATION OF UNITARY GROUP-METHODS TO CONFIGURATION-INTERACTION CALCULATIONS
HEGARTY, D
ROBB, MA
[J]. MOLECULAR PHYSICS, 1979, 38 (06) : 1795 - 1812

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