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DICHOTOMY BETWEEN CYCLOADDITION TRANSITION-STATES CALCULATED BY SEMIEMPIRICAL AND AB-INITIO TECHNIQUES
被引:107
作者
:
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
机构
:
[1]
1ST CHIM ORGAN,I-27100 PAVIA,ITALY
[2]
LOUISIANA STATE UNIV,DEPT CHEM,BATON ROUGE,LA 70803
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1977年
/ 99卷
/ 13期
关键词
:
D O I
:
10.1021/ja00455a056
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:4511 / 4514
页数:4
相关论文
共 39 条
[1]
Baldwin J. E., 1970, FORTSCHR CHEM FORSCH, V15, P281
[2]
TRANSITION-STATE OF DIELS-ALDER REACTION
[J].
BASILEVSKY, MV
论文数:
0
引用数:
0
h-index:
0
机构:
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
BASILEVSKY, MV
;
SHAMOV, AG
论文数:
0
引用数:
0
h-index:
0
机构:
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
SHAMOV, AG
;
TIKHOMIROV, VA
论文数:
0
引用数:
0
h-index:
0
机构:
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
TIKHOMIROV, VA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(05)
:1369
-1372
[3]
STEREOCHEMISTRY OF DIELS-ALDER DIMERIZATION OF TRANS,TRANS-PENTA-1,3-DIENE-1-D
[J].
BERSON, JA
论文数:
0
引用数:
0
h-index:
0
机构:
YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520
YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520
BERSON, JA
;
MALHERBE, R
论文数:
0
引用数:
0
h-index:
0
机构:
YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520
YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520
MALHERBE, R
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(20)
:5910
-5912
[4]
GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES
[J].
BINGHAM, RC
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
BINGHAM, RC
;
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
;
LO, DH
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
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1302
-1306
[5]
GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE
[J].
BINGHAM, RC
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
BINGHAM, RC
;
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
;
LO, DH
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
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1307
-1311
[6]
GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
[J].
BINGHAM, RC
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
BINGHAM, RC
;
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
;
LO, DH
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
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1294
-1301
[7]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
[J].
BINGHAM, RC
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
BINGHAM, RC
;
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
;
LO, DH
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
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1285
-1293
[8]
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
[9]
GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
HASELBAC.E
论文数:
0
引用数:
0
h-index:
0
HASELBAC.E
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(03)
:590
-+
[10]
MINDO-3 STUDY OF SOME DIELS-ALDER REACTIONS
[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
;
GRIFFIN, AC
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
GRIFFIN, AC
;
KIRSCHNE.S
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
KIRSCHNE.S
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(19)
:6225
-6226
←
1
2
3
4
→
共 39 条
[1]
Baldwin J. E., 1970, FORTSCHR CHEM FORSCH, V15, P281
[2]
TRANSITION-STATE OF DIELS-ALDER REACTION
[J].
BASILEVSKY, MV
论文数:
0
引用数:
0
h-index:
0
机构:
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
BASILEVSKY, MV
;
SHAMOV, AG
论文数:
0
引用数:
0
h-index:
0
机构:
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
SHAMOV, AG
;
TIKHOMIROV, VA
论文数:
0
引用数:
0
h-index:
0
机构:
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
LY KARPOV PHYSICOCHEM RES INST,MOSCOW,USSR
TIKHOMIROV, VA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(05)
:1369
-1372
[3]
STEREOCHEMISTRY OF DIELS-ALDER DIMERIZATION OF TRANS,TRANS-PENTA-1,3-DIENE-1-D
[J].
BERSON, JA
论文数:
0
引用数:
0
h-index:
0
机构:
YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520
YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520
BERSON, JA
;
MALHERBE, R
论文数:
0
引用数:
0
h-index:
0
机构:
YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520
YALE UNIV,DEPT CHEM,NEW HAVEN,CT 06520
MALHERBE, R
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(20)
:5910
-5912
[4]
GROUND-STATES OF MOLECULES .27. MINDO-3 CALCULATIONS FOR CHON SPECIES
[J].
BINGHAM, RC
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
BINGHAM, RC
;
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
;
LO, DH
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
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1302
-1306
[5]
GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE
[J].
BINGHAM, RC
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
BINGHAM, RC
;
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
;
LO, DH
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
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1307
-1311
[6]
GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS
[J].
BINGHAM, RC
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
BINGHAM, RC
;
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
;
LO, DH
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
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1294
-1301
[7]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
[J].
BINGHAM, RC
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
BINGHAM, RC
;
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
;
LO, DH
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
LO, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
:1285
-1293
[8]
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
[9]
GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD
[J].
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
;
HASELBAC.E
论文数:
0
引用数:
0
h-index:
0
HASELBAC.E
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(03)
:590
-+
[10]
MINDO-3 STUDY OF SOME DIELS-ALDER REACTIONS
[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
;
GRIFFIN, AC
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
GRIFFIN, AC
;
KIRSCHNE.S
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
KIRSCHNE.S
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(19)
:6225
-6226
←
1
2
3
4
→