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GROUND-STATES OF MOLECULES .68. MNDO STUDY OF THE CLAISEN REARRANGEMENT
被引:65
作者
:
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
HEALY, EF
论文数:
0
引用数:
0
h-index:
0
HEALY, EF
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1984年
/ 106卷
/ 23期
关键词
:
D O I
:
10.1021/ja00335a043
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:7127 / 7131
页数:5
相关论文
共 41 条
[1]
THEORETICAL-STUDY OF DIELS-ALDER REACTION
[J].
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
BURKE, LA
;
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
LEROY, G
;
SANA, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
SANA, M
.
THEORETICA CHIMICA ACTA,
1975,
40
(04)
:313
-321
[2]
SUBSTITUENT EFFECTS ON THE ALIPHATIC CLAISEN REARRANGEMENT .1. SYNTHESIS AND REARRANGEMENT OF CYANO-SUBSTITUTED ALLYL VINYL ETHERS
[J].
BURROWS, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853
BURROWS, CJ
;
CARPENTER, BK
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853
CARPENTER, BK
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(23)
:6983
-6984
[3]
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
[4]
Dewar M. J. S., J AM CHEM SOC
[5]
THERMAL DECARBOXYLATION OF BUT-3-ENOIC ACID - MINDO-3 CALCULATIONS OF ACTIVATION PARAMETERS AND PRIMARY KINETIC ISOTOPE EFFECTS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
FORD, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FORD, GP
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
:8343
-8344
[6]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
:4907
-4917
[7]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
:4899
-4907
[8]
CALCULATIONS OF ELECTRON-AFFINITIES USING MNDO SEMI-EMPIRICAL SCF-MO METHOD
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(03)
:784
-790
[9]
A MOLECULAR ORBITAL THEORY OF ORGANIC CHEMISTRY .6. AROMATIC SUBSTITUTION AND ADDITION
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1952,
74
(13)
:3357
-3363
[10]
STUDY OF MECHANISM OF COPE REARRANGEMENT
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
WADE, LE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
WADE, LE
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(13)
:4417
-4424
←
1
2
3
4
5
→
共 41 条
[1]
THEORETICAL-STUDY OF DIELS-ALDER REACTION
[J].
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
BURKE, LA
;
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
LEROY, G
;
SANA, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
SANA, M
.
THEORETICA CHIMICA ACTA,
1975,
40
(04)
:313
-321
[2]
SUBSTITUENT EFFECTS ON THE ALIPHATIC CLAISEN REARRANGEMENT .1. SYNTHESIS AND REARRANGEMENT OF CYANO-SUBSTITUTED ALLYL VINYL ETHERS
[J].
BURROWS, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853
BURROWS, CJ
;
CARPENTER, BK
论文数:
0
引用数:
0
h-index:
0
机构:
CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853
CORNELL UNIV,DEPT CHEM,BAKER LAB,ITHACA,NY 14853
CARPENTER, BK
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(23)
:6983
-6984
[3]
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
[4]
Dewar M. J. S., J AM CHEM SOC
[5]
THERMAL DECARBOXYLATION OF BUT-3-ENOIC ACID - MINDO-3 CALCULATIONS OF ACTIVATION PARAMETERS AND PRIMARY KINETIC ISOTOPE EFFECTS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
FORD, GP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
FORD, GP
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
:8343
-8344
[6]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
:4907
-4917
[7]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
:4899
-4907
[8]
CALCULATIONS OF ELECTRON-AFFINITIES USING MNDO SEMI-EMPIRICAL SCF-MO METHOD
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(03)
:784
-790
[9]
A MOLECULAR ORBITAL THEORY OF ORGANIC CHEMISTRY .6. AROMATIC SUBSTITUTION AND ADDITION
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1952,
74
(13)
:3357
-3363
[10]
STUDY OF MECHANISM OF COPE REARRANGEMENT
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
;
WADE, LE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
WADE, LE
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(13)
:4417
-4424
←
1
2
3
4
5
→