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MONTE-CARLO SIMULATIONS OF LIQUID TETRAHYDROFURAN INCLUDING PSEUDOROTATION
被引:61
作者
:
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1982年
/ 77卷
/ 10期
关键词
:
D O I
:
10.1063/1.443681
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
引用
收藏
页码:5073 / 5079
页数:7
相关论文
共 26 条
[1]
CONFORMATIONAL-ANALYSIS .118. APPLICATION OF MOLECULAR-MECHANICS METHOD TO ALCOHOLS AND ETHERS
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
ALLINGER, NL
CHUNG, DY
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
CHUNG, DY
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(22)
: 6798
-
6803
[2]
ALLINGER NL, 1980, QCPE395
[3]
BEVERIDGE DL, ADV CHEM
[4]
STUDIES OF SOLVATION PHENOMENA OF IONS AND ION PARIS IN DIMETHOXYETHANE AND TETRAHYDROFURAN
CARVAJAL, C
论文数:
0
引用数:
0
h-index:
0
CARVAJAL, C
TOLLE, KJ
论文数:
0
引用数:
0
h-index:
0
TOLLE, KJ
SMID, J
论文数:
0
引用数:
0
h-index:
0
SMID, J
SZWARC, M
论文数:
0
引用数:
0
h-index:
0
SZWARC, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1965,
87
(24)
: 5548
-
&
[5]
GENERAL DEFINITION OF RING PUCKERING COORDINATES
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CREMER, D
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1354
-
1358
[6]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .23. PSEUDOROTATION IN SATURATED 5-MEMBERED RING COMPOUNDS
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CREMER, D
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1358
-
1367
[7]
RING PUCKERING IN 5-MEMBERED RINGS .2. MICROWAVE SPECTRUM DIPOLE MOMENT AND BARRIER TO PSEUDOROTATION IN TETRAHYDROFURAN
ENGERHOLM, GG
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
ENGERHOLM, GG
LUNTZ, AC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
LUNTZ, AC
GWINN, WD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
GWINN, WD
HARRIS, DO
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
HARRIS, DO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(06)
: 2446
-
+
[8]
ELECTRON DIFFRACTION STUDY OF GASEOUS TETRAHYDROFURAN
GEISE, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Michigan, Ann Arbor
GEISE, HJ
ADAMS, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Michigan, Ann Arbor
ADAMS, WJ
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Michigan, Ann Arbor
BARTELL, LS
[J].
TETRAHEDRON,
1969,
25
(15)
: 3045
-
&
[9]
SPECTROSCOPIC EVIDENCE FOR PSEUDOROTATION .2. FAR-INFRARED SPECTRA OF TETRAHYDROFURAN AND 1,3-DIOXOLANE
GREENHOUSE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
GREENHOUSE, JA
STRAUSS, HL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
STRAUSS, HL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(01)
: 124
-
+
[10]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS - APPLICATION TO LIQUID WATER
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(02)
: 335
-
340
←
1
2
3
→
共 26 条
[1]
CONFORMATIONAL-ANALYSIS .118. APPLICATION OF MOLECULAR-MECHANICS METHOD TO ALCOHOLS AND ETHERS
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
ALLINGER, NL
CHUNG, DY
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
CHUNG, DY
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(22)
: 6798
-
6803
[2]
ALLINGER NL, 1980, QCPE395
[3]
BEVERIDGE DL, ADV CHEM
[4]
STUDIES OF SOLVATION PHENOMENA OF IONS AND ION PARIS IN DIMETHOXYETHANE AND TETRAHYDROFURAN
CARVAJAL, C
论文数:
0
引用数:
0
h-index:
0
CARVAJAL, C
TOLLE, KJ
论文数:
0
引用数:
0
h-index:
0
TOLLE, KJ
SMID, J
论文数:
0
引用数:
0
h-index:
0
SMID, J
SZWARC, M
论文数:
0
引用数:
0
h-index:
0
SZWARC, M
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1965,
87
(24)
: 5548
-
&
[5]
GENERAL DEFINITION OF RING PUCKERING COORDINATES
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CREMER, D
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1354
-
1358
[6]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .23. PSEUDOROTATION IN SATURATED 5-MEMBERED RING COMPOUNDS
CREMER, D
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CREMER, D
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1358
-
1367
[7]
RING PUCKERING IN 5-MEMBERED RINGS .2. MICROWAVE SPECTRUM DIPOLE MOMENT AND BARRIER TO PSEUDOROTATION IN TETRAHYDROFURAN
ENGERHOLM, GG
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
ENGERHOLM, GG
LUNTZ, AC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
LUNTZ, AC
GWINN, WD
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
GWINN, WD
HARRIS, DO
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
HARRIS, DO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(06)
: 2446
-
+
[8]
ELECTRON DIFFRACTION STUDY OF GASEOUS TETRAHYDROFURAN
GEISE, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Michigan, Ann Arbor
GEISE, HJ
ADAMS, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Michigan, Ann Arbor
ADAMS, WJ
BARTELL, LS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Michigan, Ann Arbor
BARTELL, LS
[J].
TETRAHEDRON,
1969,
25
(15)
: 3045
-
&
[9]
SPECTROSCOPIC EVIDENCE FOR PSEUDOROTATION .2. FAR-INFRARED SPECTRA OF TETRAHYDROFURAN AND 1,3-DIOXOLANE
GREENHOUSE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
GREENHOUSE, JA
STRAUSS, HL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
STRAUSS, HL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(01)
: 124
-
+
[10]
QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS - APPLICATION TO LIQUID WATER
JORGENSEN, WL
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, WL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1981,
103
(02)
: 335
-
340
←
1
2
3
→