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ELECTRONIC FACTORS INFLUENCING THE ACTIVATION BARRIER OF THE DIELS-ALDER REACTION - AN ABINITIO STUDY
被引:106
作者
:
BACH, RD
论文数:
0
引用数:
0
h-index:
0
机构:
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
BACH, RD
[
1
]
MCDOUALL, JJW
论文数:
0
引用数:
0
h-index:
0
机构:
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
MCDOUALL, JJW
[
1
]
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
SCHLEGEL, HB
[
1
]
WOLBER, GJ
论文数:
0
引用数:
0
h-index:
0
机构:
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
WOLBER, GJ
[
1
]
机构
:
[1]
MERCY COLL DETROIT,DEPT CHEM,DETROIT,MI 48219
来源
:
JOURNAL OF ORGANIC CHEMISTRY
|
1989年
/ 54卷
/ 12期
关键词
:
D O I
:
10.1021/jo00273a029
中图分类号
:
O62 [有机化学];
学科分类号
:
070303 ;
081704 ;
摘要
:
引用
收藏
页码:2931 / 2935
页数:5
相关论文
共 26 条
[1]
THE ORIGIN OF THE BARRIERS TO THERMALLY ALLOWED, 6-ELECTRON, PERICYCLIC-REACTIONS - THE EFFECT OF HOMO HOMO INTERACTIONS ON THE TRIMERIZATION OF ACETYLENE
[J].
BACH, RD
论文数:
0
引用数:
0
h-index:
0
BACH, RD
;
WOLBER, GJ
论文数:
0
引用数:
0
h-index:
0
WOLBER, GJ
;
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
SCHLEGEL, HB
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(10)
:2837
-2841
[2]
NUCLEOPHILIC-SUBSTITUTION AT VINYLIC CARBON - THE IMPORTANCE OF THE HOMO HOMO INTERACTION
[J].
BACH, RD
论文数:
0
引用数:
0
h-index:
0
BACH, RD
;
WOLBER, GJ
论文数:
0
引用数:
0
h-index:
0
WOLBER, GJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(05)
:1401
-1409
[3]
MECHANISM OF OXYGEN-TRANSFER FROM OXAZIRIDINE TO ETHYLENE - THE CONSEQUENCES OF HOMO HOMO INTERACTIONS ON FRONTIER ORBITAL NARROWING
[J].
BACH, RD
论文数:
0
引用数:
0
h-index:
0
BACH, RD
;
WOLBER, GJ
论文数:
0
引用数:
0
h-index:
0
WOLBER, GJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(05)
:1410
-1415
[4]
QUANTUM ORGANIC PHOTOCHEMISTRY .1. INTRAMOLECULAR POTENTIAL ENERGY SURFACES FOR LOWEST 3-PI-PI] STATE OF POLYENES
[J].
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
BAIRD, NC
;
WEST, RM
论文数:
0
引用数:
0
h-index:
0
WEST, RM
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(18)
:4427
-&
[5]
TOWARDS AN ACCURATE ABINITIO CALCULATION OF THE TRANSITION-STATE STRUCTURES OF THE DIELS-ALDER REACTION
[J].
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
BERNARDI, F
;
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
BOTTONI, A
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
ROBB, MA
;
FIELD, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
FIELD, MJ
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
HILLIER, IH
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
GUEST, MF
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1985,
(15)
:1051
-1052
[6]
MC-SCF STUDY OF THE DIELS-ALDER REACTION BETWEEN ETHYLENE AND BUTADIENE
[J].
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
BERNARDI, F
;
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
BOTTONI, A
;
FIELD, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
FIELD, MJ
;
GUEST, MF
论文数:
0
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h-index:
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UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
GUEST, MF
;
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0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
HILLIER, IH
;
ROBB, MA
论文数:
0
引用数:
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UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
ROBB, MA
;
VENTURINI, A
论文数:
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引用数:
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UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
VENTURINI, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(10)
:3050
-3055
[7]
THE STO-3G TRANSITION STRUCTURE OF THE DIELS-ALDER REACTION
[J].
BROWN, FK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
BROWN, FK
;
HOUK, KN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
HOUK, KN
.
TETRAHEDRON LETTERS,
1984,
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(41)
:4609
-4612
[8]
DICHOTOMY BETWEEN CYCLOADDITION TRANSITION-STATES CALCULATED BY SEMIEMPIRICAL AND AB-INITIO TECHNIQUES
[J].
CARAMELLA, P
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引用数:
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机构:
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CARAMELLA, P
;
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论文数:
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;
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引用数:
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DOMELSMITH, LN
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(13)
:4511
-4514
[9]
CODDENS BA, 1987, THESIS WAYNE STATE U
[10]
MECHANISM OF THE DIELS-ALDER REACTION - REACTIONS OF BUTADIENE WITH ETHYLENE AND CYANOETHYLENES
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
DEWAR, MJS
;
OLIVELLA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
OLIVELLA, S
;
STEWART, JJP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
STEWART, JJP
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(19)
:5771
-5779
←
1
2
3
→
共 26 条
[1]
THE ORIGIN OF THE BARRIERS TO THERMALLY ALLOWED, 6-ELECTRON, PERICYCLIC-REACTIONS - THE EFFECT OF HOMO HOMO INTERACTIONS ON THE TRIMERIZATION OF ACETYLENE
[J].
BACH, RD
论文数:
0
引用数:
0
h-index:
0
BACH, RD
;
WOLBER, GJ
论文数:
0
引用数:
0
h-index:
0
WOLBER, GJ
;
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
SCHLEGEL, HB
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(10)
:2837
-2841
[2]
NUCLEOPHILIC-SUBSTITUTION AT VINYLIC CARBON - THE IMPORTANCE OF THE HOMO HOMO INTERACTION
[J].
BACH, RD
论文数:
0
引用数:
0
h-index:
0
BACH, RD
;
WOLBER, GJ
论文数:
0
引用数:
0
h-index:
0
WOLBER, GJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(05)
:1401
-1409
[3]
MECHANISM OF OXYGEN-TRANSFER FROM OXAZIRIDINE TO ETHYLENE - THE CONSEQUENCES OF HOMO HOMO INTERACTIONS ON FRONTIER ORBITAL NARROWING
[J].
BACH, RD
论文数:
0
引用数:
0
h-index:
0
BACH, RD
;
WOLBER, GJ
论文数:
0
引用数:
0
h-index:
0
WOLBER, GJ
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(05)
:1410
-1415
[4]
QUANTUM ORGANIC PHOTOCHEMISTRY .1. INTRAMOLECULAR POTENTIAL ENERGY SURFACES FOR LOWEST 3-PI-PI] STATE OF POLYENES
[J].
BAIRD, NC
论文数:
0
引用数:
0
h-index:
0
BAIRD, NC
;
WEST, RM
论文数:
0
引用数:
0
h-index:
0
WEST, RM
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(18)
:4427
-&
[5]
TOWARDS AN ACCURATE ABINITIO CALCULATION OF THE TRANSITION-STATE STRUCTURES OF THE DIELS-ALDER REACTION
[J].
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
BERNARDI, F
;
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
BOTTONI, A
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
ROBB, MA
;
FIELD, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
FIELD, MJ
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
HILLIER, IH
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
SERC,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
GUEST, MF
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1985,
(15)
:1051
-1052
[6]
MC-SCF STUDY OF THE DIELS-ALDER REACTION BETWEEN ETHYLENE AND BUTADIENE
[J].
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
BERNARDI, F
;
BOTTONI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
BOTTONI, A
;
FIELD, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
FIELD, MJ
;
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
GUEST, MF
;
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
HILLIER, IH
;
ROBB, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
ROBB, MA
;
VENTURINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCS,ENGLAND
VENTURINI, A
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(10)
:3050
-3055
[7]
THE STO-3G TRANSITION STRUCTURE OF THE DIELS-ALDER REACTION
[J].
BROWN, FK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
BROWN, FK
;
HOUK, KN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
HOUK, KN
.
TETRAHEDRON LETTERS,
1984,
25
(41)
:4609
-4612
[8]
DICHOTOMY BETWEEN CYCLOADDITION TRANSITION-STATES CALCULATED BY SEMIEMPIRICAL AND AB-INITIO TECHNIQUES
[J].
CARAMELLA, P
论文数:
0
引用数:
0
h-index:
0
机构:
1ST CHIM ORGAN,I-27100 PAVIA,ITALY
CARAMELLA, P
;
HOUK, KN
论文数:
0
引用数:
0
h-index:
0
机构:
1ST CHIM ORGAN,I-27100 PAVIA,ITALY
HOUK, KN
;
DOMELSMITH, LN
论文数:
0
引用数:
0
h-index:
0
机构:
1ST CHIM ORGAN,I-27100 PAVIA,ITALY
DOMELSMITH, LN
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(13)
:4511
-4514
[9]
CODDENS BA, 1987, THESIS WAYNE STATE U
[10]
MECHANISM OF THE DIELS-ALDER REACTION - REACTIONS OF BUTADIENE WITH ETHYLENE AND CYANOETHYLENES
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
DEWAR, MJS
;
OLIVELLA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
OLIVELLA, S
;
STEWART, JJP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
UNIV BARCELONA,FAC QUIM,DEPT QUIM ORGAN,E-08028 BARCELONA,SPAIN
STEWART, JJP
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(19)
:5771
-5779
←
1
2
3
→