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A MOLECULAR MECHANICS FORCE-FIELD FOR CONFORMATIONAL-ANALYSIS OF ALKANETHIOLS AND THIOETHERS
被引:23
作者
:
FAUSTO, R
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV BIOL SCI,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV BIOL SCI,OTTAWA K1A 0R6,ONTARIO,CANADA
FAUSTO, R
[
1
]
TEIXEIRADIAS, JJC
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV BIOL SCI,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV BIOL SCI,OTTAWA K1A 0R6,ONTARIO,CANADA
TEIXEIRADIAS, JJC
[
1
]
CAREY, PR
论文数:
0
引用数:
0
h-index:
0
机构:
NATL RES COUNCIL CANADA,DIV BIOL SCI,OTTAWA K1A 0R6,ONTARIO,CANADA
NATL RES COUNCIL CANADA,DIV BIOL SCI,OTTAWA K1A 0R6,ONTARIO,CANADA
CAREY, PR
[
1
]
机构
:
[1]
NATL RES COUNCIL CANADA,DIV BIOL SCI,OTTAWA K1A 0R6,ONTARIO,CANADA
来源
:
JOURNAL OF MOLECULAR STRUCTURE
|
1987年
/ 159卷
/ 1-2期
关键词
:
D O I
:
10.1016/0022-2860(87)85013-5
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:137 / 152
页数:16
相关论文
共 55 条
[1]
MICROWAVE-SPECTRUM, STRUCTURE, DIPOLE-MOMENT, AND INTERNAL-ROTATION OF THE GAUCHE ISOMER OF ETHYL METHYL SULFIDE
ADACHI, M
论文数:
0
引用数:
0
h-index:
0
ADACHI, M
NAKAGAWA, J
论文数:
0
引用数:
0
h-index:
0
NAKAGAWA, J
HAYASHI, M
论文数:
0
引用数:
0
h-index:
0
HAYASHI, M
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1982,
91
(02)
: 381
-
388
[2]
CONFORMATIONAL-ANALYSIS .111. CALCULATION OF STRUCTURES AND ENERGIES OF DISULFIDES BY MOLECULAR MECHANICS METHOD
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
HICKEY, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
HICKEY, MJ
KAO, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
KAO, J
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(10)
: 2741
-
2745
[3]
CONFORMATIONAL-ANALYSIS .108. CALCULATION OF STRUCTURES AND ENERGIES OF ALKANETHIOLS AND THIA-ALKANES BY MOLECULAR MECHANICS METHOD
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
HICKEY, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
HICKEY, MJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(18)
: 5167
-
5177
[4]
INFRARED CRYOGENIC STUDIES .9. METHANETHIOL AND ETHANETHIOL IN MATRICES
BARNES, AJ
论文数:
0
引用数:
0
h-index:
0
BARNES, AJ
HOWELLS, JDR
论文数:
0
引用数:
0
h-index:
0
HOWELLS, JDR
HALLAM, HE
论文数:
0
引用数:
0
h-index:
0
HALLAM, HE
[J].
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II,
1972,
68
(05):
: 737
-
&
[5]
ABINITIO SCF-LCAO-MO STUDY OF CONFORMATIONAL STABILITY AND INTERNAL-ROTATION IN NORMAL-BUTANE, ETHYL METHYL-ETHER AND ETHYL METHYL SULFIDE
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
BREDAS, JL
DUFEY, M
论文数:
0
引用数:
0
h-index:
0
DUFEY, M
FRIPIAT, JG
论文数:
0
引用数:
0
h-index:
0
FRIPIAT, JG
ANDRE, JM
论文数:
0
引用数:
0
h-index:
0
ANDRE, JM
[J].
MOLECULAR PHYSICS,
1983,
49
(06)
: 1451
-
1460
[6]
BURKERT U, 1982, ACS MONOGR, V177
[7]
THE STRUCTURE AND DYNAMICS OF ENZYME-SUBSTRATE REACTION INTERMEDIATES DETERMINED BY RESONANCE RAMAN-SPECTROSCOPY
CAREY, PR
论文数:
0
引用数:
0
h-index:
0
CAREY, PR
STORER, AC
论文数:
0
引用数:
0
h-index:
0
STORER, AC
[J].
PURE AND APPLIED CHEMISTRY,
1985,
57
(02)
: 225
-
234
[8]
LIQUID-VAPOR FREQUENCY SHIFTS AND TORSIONAL FREQUENCIES IN FAR INFRARED SPECTRA
CROWDER, GA
论文数:
0
引用数:
0
h-index:
0
CROWDER, GA
SCOTT, DW
论文数:
0
引用数:
0
h-index:
0
SCOTT, DW
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1965,
16
(01)
: 122
-
&
[9]
ANALYSIS OF TORSIONAL SPECTRA OF MOLECULES WITH 2 INTERNAL C-3V ROTORS .11. LOW-FREQUENCY VIBRATIONAL-SPECTRA, METHYL TORSIONAL POTENTIAL FUNCTIONS, AND INTERNAL-ROTATION OF ETHYL METHYL SULFIDE
DURIG, JR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of South Carolina, Columbia
DURIG, JR
COMPTON, DAC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of South Carolina, Columbia
COMPTON, DAC
JALILIAN, MR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of South Carolina, Columbia
JALILIAN, MR
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(04)
: 511
-
515
[10]
CONFORMATIONAL AND VIBRATIONAL SPECTROSCOPIC ANALYSIS OF CHCL2COCL, CHCL2COOH, CHCL2COOCH3 AND CCL3COCL, CCL3COOH, CCL3COOCH3
FAUSTO, R
论文数:
0
引用数:
0
h-index:
0
FAUSTO, R
TEIXEIRADIAS, JJC
论文数:
0
引用数:
0
h-index:
0
TEIXEIRADIAS, JJC
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1986,
144
(3-4)
: 241
-
263
←
1
2
3
4
5
6
→
共 55 条
[1]
MICROWAVE-SPECTRUM, STRUCTURE, DIPOLE-MOMENT, AND INTERNAL-ROTATION OF THE GAUCHE ISOMER OF ETHYL METHYL SULFIDE
ADACHI, M
论文数:
0
引用数:
0
h-index:
0
ADACHI, M
NAKAGAWA, J
论文数:
0
引用数:
0
h-index:
0
NAKAGAWA, J
HAYASHI, M
论文数:
0
引用数:
0
h-index:
0
HAYASHI, M
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1982,
91
(02)
: 381
-
388
[2]
CONFORMATIONAL-ANALYSIS .111. CALCULATION OF STRUCTURES AND ENERGIES OF DISULFIDES BY MOLECULAR MECHANICS METHOD
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
HICKEY, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
HICKEY, MJ
KAO, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
KAO, J
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(10)
: 2741
-
2745
[3]
CONFORMATIONAL-ANALYSIS .108. CALCULATION OF STRUCTURES AND ENERGIES OF ALKANETHIOLS AND THIA-ALKANES BY MOLECULAR MECHANICS METHOD
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
HICKEY, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
HICKEY, MJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(18)
: 5167
-
5177
[4]
INFRARED CRYOGENIC STUDIES .9. METHANETHIOL AND ETHANETHIOL IN MATRICES
BARNES, AJ
论文数:
0
引用数:
0
h-index:
0
BARNES, AJ
HOWELLS, JDR
论文数:
0
引用数:
0
h-index:
0
HOWELLS, JDR
HALLAM, HE
论文数:
0
引用数:
0
h-index:
0
HALLAM, HE
[J].
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II,
1972,
68
(05):
: 737
-
&
[5]
ABINITIO SCF-LCAO-MO STUDY OF CONFORMATIONAL STABILITY AND INTERNAL-ROTATION IN NORMAL-BUTANE, ETHYL METHYL-ETHER AND ETHYL METHYL SULFIDE
BREDAS, JL
论文数:
0
引用数:
0
h-index:
0
BREDAS, JL
DUFEY, M
论文数:
0
引用数:
0
h-index:
0
DUFEY, M
FRIPIAT, JG
论文数:
0
引用数:
0
h-index:
0
FRIPIAT, JG
ANDRE, JM
论文数:
0
引用数:
0
h-index:
0
ANDRE, JM
[J].
MOLECULAR PHYSICS,
1983,
49
(06)
: 1451
-
1460
[6]
BURKERT U, 1982, ACS MONOGR, V177
[7]
THE STRUCTURE AND DYNAMICS OF ENZYME-SUBSTRATE REACTION INTERMEDIATES DETERMINED BY RESONANCE RAMAN-SPECTROSCOPY
CAREY, PR
论文数:
0
引用数:
0
h-index:
0
CAREY, PR
STORER, AC
论文数:
0
引用数:
0
h-index:
0
STORER, AC
[J].
PURE AND APPLIED CHEMISTRY,
1985,
57
(02)
: 225
-
234
[8]
LIQUID-VAPOR FREQUENCY SHIFTS AND TORSIONAL FREQUENCIES IN FAR INFRARED SPECTRA
CROWDER, GA
论文数:
0
引用数:
0
h-index:
0
CROWDER, GA
SCOTT, DW
论文数:
0
引用数:
0
h-index:
0
SCOTT, DW
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1965,
16
(01)
: 122
-
&
[9]
ANALYSIS OF TORSIONAL SPECTRA OF MOLECULES WITH 2 INTERNAL C-3V ROTORS .11. LOW-FREQUENCY VIBRATIONAL-SPECTRA, METHYL TORSIONAL POTENTIAL FUNCTIONS, AND INTERNAL-ROTATION OF ETHYL METHYL SULFIDE
DURIG, JR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of South Carolina, Columbia
DURIG, JR
COMPTON, DAC
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of South Carolina, Columbia
COMPTON, DAC
JALILIAN, MR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of South Carolina, Columbia
JALILIAN, MR
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1979,
83
(04)
: 511
-
515
[10]
CONFORMATIONAL AND VIBRATIONAL SPECTROSCOPIC ANALYSIS OF CHCL2COCL, CHCL2COOH, CHCL2COOCH3 AND CCL3COCL, CCL3COOH, CCL3COOCH3
FAUSTO, R
论文数:
0
引用数:
0
h-index:
0
FAUSTO, R
TEIXEIRADIAS, JJC
论文数:
0
引用数:
0
h-index:
0
TEIXEIRADIAS, JJC
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1986,
144
(3-4)
: 241
-
263
←
1
2
3
4
5
6
→