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TORSIONAL POTENTIALS AND CONFORMATIONAL STRUCTURES FOR 3-CHLOROPROPANAL CLH2C-CH2-CHO AND 3-CHLOROPROPANOYL CHLORIDE CLH2C-CH2-CCLO AND PARAMETER VALUES FOR THE NONBONDING INTERACTION C(SP3) =O(CARBONYL) AS USED IN MOLECULAR-MECHANICS CALCULATIONS
被引:9
作者
:
STOLEVIK, R
论文数:
0
引用数:
0
h-index:
0
STOLEVIK, R
BAKKEN, P
论文数:
0
引用数:
0
h-index:
0
BAKKEN, P
机构
:
来源
:
JOURNAL OF MOLECULAR STRUCTURE
|
1987年
/ 159卷
/ 3-4期
关键词
:
D O I
:
10.1016/0022-2860(87)80050-9
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:311 / 323
页数:13
相关论文
共 20 条
[1]
MORSE CURVE AS A NON-BONDED POTENTIAL FUNCTION
[J].
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
ABRAHAM, RJ
;
STOLEVIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
STOLEVIK, R
.
CHEMICAL PHYSICS LETTERS,
1978,
58
(04)
:622
-624
[2]
A MOLECULAR MECHANICS CALCULATION OF CONFORMATIONAL ENERGIES AND BARRIER HEIGHTS IN HALOALKANES
[J].
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
ABRAHAM, RJ
;
STOLEVIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
STOLEVIK, R
.
CHEMICAL PHYSICS LETTERS,
1981,
77
(01)
:181
-185
[3]
ROTATIONAL ISOMERISM IN ALDEHYDES
[J].
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
ABRAHAM, RJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
MOLECULAR PHYSICS,
1960,
3
(06)
:609
-611
[4]
ALEKSANDROV AN, 1967, ZH STRUKT KHIM, V8, P76
[5]
NONBONDED POTENTIALS FOR THE ATOM ATOM INTERACTIONS CL...O=C AND H...O=C AS DERIVED FROM GAS-PHASE DATA USING MOLECULAR-MECHANICS CALCULATIONS
[J].
BOSTROM, GO
论文数:
0
引用数:
0
h-index:
0
BOSTROM, GO
;
BAKKEN, P
论文数:
0
引用数:
0
h-index:
0
BAKKEN, P
;
STOLEVIK, R
论文数:
0
引用数:
0
h-index:
0
STOLEVIK, R
.
JOURNAL OF MOLECULAR STRUCTURE,
1987,
156
(3-4)
:229
-238
[6]
MICROWAVE SPECTRUM OF PROPIONALDEHYDE
[J].
BUTCHER, SS
论文数:
0
引用数:
0
h-index:
0
BUTCHER, SS
;
WILSON, EB
论文数:
0
引用数:
0
h-index:
0
WILSON, EB
.
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(06)
:1671
-&
[7]
MOLECULAR-STRUCTURE AND CONFORMATION OF PROPIONYL CHLORIDE AS DETERMINED BY GAS-PHASE ELECTRON-DIFFRACTION
[J].
DYNGESETH, S
论文数:
0
引用数:
0
h-index:
0
DYNGESETH, S
;
SCHEI, SH
论文数:
0
引用数:
0
h-index:
0
SCHEI, SH
;
HAGEN, K
论文数:
0
引用数:
0
h-index:
0
HAGEN, K
.
JOURNAL OF MOLECULAR STRUCTURE,
1984,
116
(3-4)
:257
-269
[8]
VIBRATIONAL-SPECTRA OF PROPIONYL FLUORIDE, PROPIONYL CHLORIDE AND PROPIONYL BROMIDE - CALCULATED THERMODYNAMIC FUNCTIONS OF ACETYL AND PROPIONYL HALIDES
[J].
FRANKISS, SG
论文数:
0
引用数:
0
h-index:
0
机构:
NATL PHYS LAB,DIV CHEM STAND,TEDDINGTON,MIDDLESEX,ENGLAND
NATL PHYS LAB,DIV CHEM STAND,TEDDINGTON,MIDDLESEX,ENGLAND
FRANKISS, SG
;
KYNASTON, W
论文数:
0
引用数:
0
h-index:
0
机构:
NATL PHYS LAB,DIV CHEM STAND,TEDDINGTON,MIDDLESEX,ENGLAND
NATL PHYS LAB,DIV CHEM STAND,TEDDINGTON,MIDDLESEX,ENGLAND
KYNASTON, W
.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
1975,
A 31
(5-6)
:661
-678
[9]
FAR INFRARED-SPECTRA, CONFORMATIONAL POTENTIAL FUNCTION, AND BARRIER TO METHYL ROTATION OF PROPIONYL FLUORIDE
[J].
GUIRGIS, GA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
GUIRGIS, GA
;
BARTON, BA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
BARTON, BA
;
DURIG, JR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
DURIG, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
:5918
-5926
[10]
STRUCTURAL STUDIES BY NUCLEAR MAGNETIC RESONANCE .X. CONFORMATIONS OF ALIPHATIC ALDEHYDES
[J].
KARABATS.GJ
论文数:
0
引用数:
0
h-index:
0
KARABATS.GJ
;
HSI, N
论文数:
0
引用数:
0
h-index:
0
HSI, N
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1965,
87
(13)
:2864
-&
←
1
2
→
共 20 条
[1]
MORSE CURVE AS A NON-BONDED POTENTIAL FUNCTION
[J].
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
ABRAHAM, RJ
;
STOLEVIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
STOLEVIK, R
.
CHEMICAL PHYSICS LETTERS,
1978,
58
(04)
:622
-624
[2]
A MOLECULAR MECHANICS CALCULATION OF CONFORMATIONAL ENERGIES AND BARRIER HEIGHTS IN HALOALKANES
[J].
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
ABRAHAM, RJ
;
STOLEVIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY
STOLEVIK, R
.
CHEMICAL PHYSICS LETTERS,
1981,
77
(01)
:181
-185
[3]
ROTATIONAL ISOMERISM IN ALDEHYDES
[J].
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
ABRAHAM, RJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
MOLECULAR PHYSICS,
1960,
3
(06)
:609
-611
[4]
ALEKSANDROV AN, 1967, ZH STRUKT KHIM, V8, P76
[5]
NONBONDED POTENTIALS FOR THE ATOM ATOM INTERACTIONS CL...O=C AND H...O=C AS DERIVED FROM GAS-PHASE DATA USING MOLECULAR-MECHANICS CALCULATIONS
[J].
BOSTROM, GO
论文数:
0
引用数:
0
h-index:
0
BOSTROM, GO
;
BAKKEN, P
论文数:
0
引用数:
0
h-index:
0
BAKKEN, P
;
STOLEVIK, R
论文数:
0
引用数:
0
h-index:
0
STOLEVIK, R
.
JOURNAL OF MOLECULAR STRUCTURE,
1987,
156
(3-4)
:229
-238
[6]
MICROWAVE SPECTRUM OF PROPIONALDEHYDE
[J].
BUTCHER, SS
论文数:
0
引用数:
0
h-index:
0
BUTCHER, SS
;
WILSON, EB
论文数:
0
引用数:
0
h-index:
0
WILSON, EB
.
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(06)
:1671
-&
[7]
MOLECULAR-STRUCTURE AND CONFORMATION OF PROPIONYL CHLORIDE AS DETERMINED BY GAS-PHASE ELECTRON-DIFFRACTION
[J].
DYNGESETH, S
论文数:
0
引用数:
0
h-index:
0
DYNGESETH, S
;
SCHEI, SH
论文数:
0
引用数:
0
h-index:
0
SCHEI, SH
;
HAGEN, K
论文数:
0
引用数:
0
h-index:
0
HAGEN, K
.
JOURNAL OF MOLECULAR STRUCTURE,
1984,
116
(3-4)
:257
-269
[8]
VIBRATIONAL-SPECTRA OF PROPIONYL FLUORIDE, PROPIONYL CHLORIDE AND PROPIONYL BROMIDE - CALCULATED THERMODYNAMIC FUNCTIONS OF ACETYL AND PROPIONYL HALIDES
[J].
FRANKISS, SG
论文数:
0
引用数:
0
h-index:
0
机构:
NATL PHYS LAB,DIV CHEM STAND,TEDDINGTON,MIDDLESEX,ENGLAND
NATL PHYS LAB,DIV CHEM STAND,TEDDINGTON,MIDDLESEX,ENGLAND
FRANKISS, SG
;
KYNASTON, W
论文数:
0
引用数:
0
h-index:
0
机构:
NATL PHYS LAB,DIV CHEM STAND,TEDDINGTON,MIDDLESEX,ENGLAND
NATL PHYS LAB,DIV CHEM STAND,TEDDINGTON,MIDDLESEX,ENGLAND
KYNASTON, W
.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
1975,
A 31
(5-6)
:661
-678
[9]
FAR INFRARED-SPECTRA, CONFORMATIONAL POTENTIAL FUNCTION, AND BARRIER TO METHYL ROTATION OF PROPIONYL FLUORIDE
[J].
GUIRGIS, GA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
GUIRGIS, GA
;
BARTON, BA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
BARTON, BA
;
DURIG, JR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
UNIV S CAROLINA,DEPT CHEM,COLUMBIA,SC 29208
DURIG, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(12)
:5918
-5926
[10]
STRUCTURAL STUDIES BY NUCLEAR MAGNETIC RESONANCE .X. CONFORMATIONS OF ALIPHATIC ALDEHYDES
[J].
KARABATS.GJ
论文数:
0
引用数:
0
h-index:
0
KARABATS.GJ
;
HSI, N
论文数:
0
引用数:
0
h-index:
0
HSI, N
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1965,
87
(13)
:2864
-&
←
1
2
→