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Investigation of cyclopropane stereomutation by quasiclassical trajectories on an analytical potential energy surface
被引:69
作者
:
Hrovat, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON, DEPT CHEM, SEATTLE, WA 98195 USA
Hrovat, DA
Fang, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON, DEPT CHEM, SEATTLE, WA 98195 USA
Fang, S
Borden, WT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON, DEPT CHEM, SEATTLE, WA 98195 USA
Borden, WT
Carpenter, BK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WASHINGTON, DEPT CHEM, SEATTLE, WA 98195 USA
Carpenter, BK
机构
:
[1]
UNIV WASHINGTON, DEPT CHEM, SEATTLE, WA 98195 USA
[2]
CORNELL UNIV, BAKER LAB, DEPT CHEM, ITHACA, NY 14853 USA
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1997年
/ 119卷
/ 22期
关键词
:
D O I
:
10.1021/ja964238s
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:5253 / 5254
页数:2
相关论文
共 24 条
[1]
ANDERSSON K, MOLCAS 3
[2]
Secondary deuterium kinetic isotope effects on the isomerization of the trimethylene diradical to cyclopropane
[J].
Baldwin, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
Baldwin, JE
;
Freedman, TB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
Freedman, TB
;
Yamaguchi, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
Yamaguchi, Y
;
Schaefer, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
Schaefer, HF
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1996,
118
(44)
:10934
-10935
[3]
THERMAL STEREOMUTATIONS OF CYCLOPROPANE AND OF ISOTOPICALLY LABELED CYCLOPROPANES ASSESSED THROUGH AB-INITIO COMPUTATIONAL METHODS AND KINETIC ISOTOPE EFFECT CALCULATIONS
[J].
BALDWIN, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
BALDWIN, JE
;
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
YAMAGUCHI, Y
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
SCHAEFER, HF
.
JOURNAL OF PHYSICAL CHEMISTRY,
1994,
98
(31)
:7513
-7522
[4]
BALDWIN JE, 1995, CHEM CYCLOPROPYL GRO, V2, pCH9
[5]
THERMAL STEREOMUTATION OF OPTICALLY-ACTIVE TRANS-CYCLOPROPANE-1,2-D2
[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
;
PEDERSEN, LD
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
PEDERSEN, LD
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(01)
:238
-240
[6]
DIRADICALS - CONCEPTUAL, INFERENTIAL, AND DIRECT-METHODS FOR THE STUDY OF CHEMICAL-REACTIONS
[J].
BERSON, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Yale University, New Haven
BERSON, JA
.
SCIENCE,
1994,
266
(5189)
:1338
-1339
[7]
THERMAL STEREOMUTATION OF CYCLOPROPANES
[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
;
PEDERSEN, LD
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
PEDERSEN, LD
;
CARPENTER, BK
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
CARPENTER, BK
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(01)
:122
-143
[8]
DYNAMIC MATCHING - THE CAUSE OF INVERSION OF CONFIGURATION IN THE [1,3] SIGMATROPIC MIGRATION
[J].
CARPENTER, BK
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Baker Laboratory, Cornell University, Ithaca
CARPENTER, BK
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1995,
117
(23)
:6336
-6344
[9]
Bimodal distribution of lifetimes for an intermediate from a quasiclassical dynamics simulation
[J].
Carpenter, BK
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Baker Laboratory, Cornell University, Ithaca
Carpenter, BK
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1996,
118
(42)
:10329
-10330
[10]
Kinetics of the thermal isomerization of cyclopropane
[J].
Chambers, TS
论文数:
0
引用数:
0
h-index:
0
机构:
Harvard Univ, Chem Lab, Cambridge, MA USA
Harvard Univ, Chem Lab, Cambridge, MA USA
Chambers, TS
;
Kistiakowsky, GB
论文数:
0
引用数:
0
h-index:
0
机构:
Harvard Univ, Chem Lab, Cambridge, MA USA
Harvard Univ, Chem Lab, Cambridge, MA USA
Kistiakowsky, GB
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1934,
56
:399
-405
←
1
2
3
→
共 24 条
[1]
ANDERSSON K, MOLCAS 3
[2]
Secondary deuterium kinetic isotope effects on the isomerization of the trimethylene diradical to cyclopropane
[J].
Baldwin, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
Baldwin, JE
;
Freedman, TB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
Freedman, TB
;
Yamaguchi, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
Yamaguchi, Y
;
Schaefer, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMP QUANTUM CHEM,ATHENS,GA 30602
Schaefer, HF
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1996,
118
(44)
:10934
-10935
[3]
THERMAL STEREOMUTATIONS OF CYCLOPROPANE AND OF ISOTOPICALLY LABELED CYCLOPROPANES ASSESSED THROUGH AB-INITIO COMPUTATIONAL METHODS AND KINETIC ISOTOPE EFFECT CALCULATIONS
[J].
BALDWIN, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
BALDWIN, JE
;
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
YAMAGUCHI, Y
;
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
SCHAEFER, HF
.
JOURNAL OF PHYSICAL CHEMISTRY,
1994,
98
(31)
:7513
-7522
[4]
BALDWIN JE, 1995, CHEM CYCLOPROPYL GRO, V2, pCH9
[5]
THERMAL STEREOMUTATION OF OPTICALLY-ACTIVE TRANS-CYCLOPROPANE-1,2-D2
[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
;
PEDERSEN, LD
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
PEDERSEN, LD
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(01)
:238
-240
[6]
DIRADICALS - CONCEPTUAL, INFERENTIAL, AND DIRECT-METHODS FOR THE STUDY OF CHEMICAL-REACTIONS
[J].
BERSON, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Yale University, New Haven
BERSON, JA
.
SCIENCE,
1994,
266
(5189)
:1338
-1339
[7]
THERMAL STEREOMUTATION OF CYCLOPROPANES
[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
;
PEDERSEN, LD
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
PEDERSEN, LD
;
CARPENTER, BK
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
CARPENTER, BK
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(01)
:122
-143
[8]
DYNAMIC MATCHING - THE CAUSE OF INVERSION OF CONFIGURATION IN THE [1,3] SIGMATROPIC MIGRATION
[J].
CARPENTER, BK
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Baker Laboratory, Cornell University, Ithaca
CARPENTER, BK
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1995,
117
(23)
:6336
-6344
[9]
Bimodal distribution of lifetimes for an intermediate from a quasiclassical dynamics simulation
[J].
Carpenter, BK
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Baker Laboratory, Cornell University, Ithaca
Carpenter, BK
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1996,
118
(42)
:10329
-10330
[10]
Kinetics of the thermal isomerization of cyclopropane
[J].
Chambers, TS
论文数:
0
引用数:
0
h-index:
0
机构:
Harvard Univ, Chem Lab, Cambridge, MA USA
Harvard Univ, Chem Lab, Cambridge, MA USA
Chambers, TS
;
Kistiakowsky, GB
论文数:
0
引用数:
0
h-index:
0
机构:
Harvard Univ, Chem Lab, Cambridge, MA USA
Harvard Univ, Chem Lab, Cambridge, MA USA
Kistiakowsky, GB
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1934,
56
:399
-405
←
1
2
3
→