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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
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(10)
: 2837
-
2841
[2]
NUCLEOPHILIC-SUBSTITUTION AT VINYLIC CARBON - THE IMPORTANCE OF THE HOMO HOMO INTERACTION
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
[J].
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
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
[J].
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
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
[J].
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
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
[J].
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1985,
(15)
: 1051
-
1052
[6]
MC-SCF STUDY OF THE DIELS-ALDER REACTION BETWEEN ETHYLENE AND BUTADIENE
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
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HILLIER, IH
论文数:
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0
h-index:
0
机构:
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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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(10)
: 3050
-
3055
[7]
THE STO-3G TRANSITION STRUCTURE OF THE DIELS-ALDER REACTION
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
[J].
TETRAHEDRON LETTERS,
1984,
25
(41)
: 4609
-
4612
[8]
DICHOTOMY BETWEEN CYCLOADDITION TRANSITION-STATES CALCULATED BY SEMIEMPIRICAL AND AB-INITIO TECHNIQUES
CARAMELLA, P
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引用数:
0
h-index:
0
机构:
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CARAMELLA, P
HOUK, KN
论文数:
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引用数:
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h-index:
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机构:
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DOMELSMITH, LN
论文数:
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引用数:
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h-index:
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机构:
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DOMELSMITH, LN
[J].
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
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
[J].
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
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1985,
107
(10)
: 2837
-
2841
[2]
NUCLEOPHILIC-SUBSTITUTION AT VINYLIC CARBON - THE IMPORTANCE OF THE HOMO HOMO INTERACTION
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
[J].
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
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
[J].
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
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
[J].
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
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
[J].
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1985,
(15)
: 1051
-
1052
[6]
MC-SCF STUDY OF THE DIELS-ALDER REACTION BETWEEN ETHYLENE AND BUTADIENE
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1988,
110
(10)
: 3050
-
3055
[7]
THE STO-3G TRANSITION STRUCTURE OF THE DIELS-ALDER REACTION
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
[J].
TETRAHEDRON LETTERS,
1984,
25
(41)
: 4609
-
4612
[8]
DICHOTOMY BETWEEN CYCLOADDITION TRANSITION-STATES CALCULATED BY SEMIEMPIRICAL AND AB-INITIO TECHNIQUES
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
[J].
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
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
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1986,
108
(19)
: 5771
-
5779
←
1
2
3
→