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ABINITIO CALCULATION OF THE POTENTIAL FUNCTIONS FOR INTERNAL-ROTATION AROUND THE CS BONDS IN SIMPLE ETHENE THIOLS
被引:20
作者
:
PLANT, C
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
PLANT, C
[
1
]
MACDONALD, JN
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
MACDONALD, JN
[
1
]
BOGGS, JE
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
BOGGS, JE
[
1
]
机构
:
[1]
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
来源
:
JOURNAL OF MOLECULAR STRUCTURE
|
1985年
/ 128卷
/ 04期
关键词
:
D O I
:
10.1016/0022-2860(85)85010-9
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:353 / 363
页数:11
相关论文
共 16 条
[1]
ETHENE THIOL - A VIBRATIONAL ANALYSIS
[J].
ALMOND, V
论文数:
0
引用数:
0
h-index:
0
ALMOND, V
;
CHARLES, SW
论文数:
0
引用数:
0
h-index:
0
CHARLES, SW
;
MACDONALD, JN
论文数:
0
引用数:
0
h-index:
0
MACDONALD, JN
;
OWEN, NL
论文数:
0
引用数:
0
h-index:
0
OWEN, NL
.
JOURNAL OF MOLECULAR STRUCTURE,
1983,
100
(JUL)
:223
-239
[2]
ETHENETHIOL - AN INFARED AND MICROWAVE SPECTROSCOPIC STUDY
[J].
ALMOND, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
ALMOND, V
;
CHARLES, SW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
CHARLES, SW
;
MACDONALD, JN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
MACDONALD, JN
;
OWEN, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
OWEN, NL
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1977,
(14)
:483
-484
[3]
INTERNAL-ROTATION AND FRAMEWORK RELAXATION IN ETHENE THIOL
[J].
ALMOND, V
论文数:
0
引用数:
0
h-index:
0
ALMOND, V
;
PERMANAND, RR
论文数:
0
引用数:
0
h-index:
0
PERMANAND, RR
;
MACDONALD, JN
论文数:
0
引用数:
0
h-index:
0
MACDONALD, JN
.
JOURNAL OF MOLECULAR STRUCTURE,
1985,
128
(04)
:337
-352
[4]
BENEDETTI M, UNPUB
[5]
APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
.
MOLECULAR PHYSICS,
1976,
31
(05)
:1377
-1391
[6]
HOCKING WH, 1976, Z NATURFORSCH A, V31, P438
[7]
ABINITIO STUDY OF CONFORMATIONS OF VINYL MERCAPTAN, METHYL VINYL SULFIDE, AND METHYL ALLENYL SULFIDE
[J].
KAO, J
论文数:
0
引用数:
0
h-index:
0
KAO, J
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(15)
:4685
-4693
[8]
FAR-INFRARED GAS SPECTRA OF PHENOL, 4-FLUOROPHENOL, THIOPHENOL AND SOME DEUTERATED SPECIES - BARRIER TO INTERNAL-ROTATION
[J].
LARSEN, NW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 5,DK-2100 COPENHAGEN,DENMARK
UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 5,DK-2100 COPENHAGEN,DENMARK
LARSEN, NW
;
NICOLAIS.FM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 5,DK-2100 COPENHAGEN,DENMARK
UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 5,DK-2100 COPENHAGEN,DENMARK
NICOLAIS.FM
.
JOURNAL OF MOLECULAR STRUCTURE,
1974,
22
(01)
:29
-43
[9]
ABINITIO STUDY OF ROTATIONAL-ISOMERISM, VIBRATIONAL FORCE-FIELD AND FREQUENCIES OF VINYL MERCAPTAN
[J].
LISTER, DG
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM FIS & SPETTROSCOP,I-40136 BOLOGNA,ITALY
LISTER, DG
;
PALMIERI, P
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM FIS & SPETTROSCOP,I-40136 BOLOGNA,ITALY
PALMIERI, P
.
JOURNAL OF MOLECULAR STRUCTURE,
1978,
48
(01)
:133
-138
[10]
EFFICIENT ABINITIO GRADIENT PROGRAM
[J].
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
Department of General and Inorganic Chemistry, Eötvös L. University, Budapest, H-1088
PULAY, P
.
THEORETICA CHIMICA ACTA,
1979,
50
(04)
:299
-312
←
1
2
→
共 16 条
[1]
ETHENE THIOL - A VIBRATIONAL ANALYSIS
[J].
ALMOND, V
论文数:
0
引用数:
0
h-index:
0
ALMOND, V
;
CHARLES, SW
论文数:
0
引用数:
0
h-index:
0
CHARLES, SW
;
MACDONALD, JN
论文数:
0
引用数:
0
h-index:
0
MACDONALD, JN
;
OWEN, NL
论文数:
0
引用数:
0
h-index:
0
OWEN, NL
.
JOURNAL OF MOLECULAR STRUCTURE,
1983,
100
(JUL)
:223
-239
[2]
ETHENETHIOL - AN INFARED AND MICROWAVE SPECTROSCOPIC STUDY
[J].
ALMOND, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
ALMOND, V
;
CHARLES, SW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
CHARLES, SW
;
MACDONALD, JN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
MACDONALD, JN
;
OWEN, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
UNIV WALES,UNIV COLL N WALES,SCH PHYS & MOLEC SCI,BANGOR LL57 2UW,GWYNEDD,WALES
OWEN, NL
.
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS,
1977,
(14)
:483
-484
[3]
INTERNAL-ROTATION AND FRAMEWORK RELAXATION IN ETHENE THIOL
[J].
ALMOND, V
论文数:
0
引用数:
0
h-index:
0
ALMOND, V
;
PERMANAND, RR
论文数:
0
引用数:
0
h-index:
0
PERMANAND, RR
;
MACDONALD, JN
论文数:
0
引用数:
0
h-index:
0
MACDONALD, JN
.
JOURNAL OF MOLECULAR STRUCTURE,
1985,
128
(04)
:337
-352
[4]
BENEDETTI M, UNPUB
[5]
APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE
[J].
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
BLOM, CE
;
ALTONA, C
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
UNIV LEIDEN GORLAEUS LABS,DEPT ORG CHEM,LEIDEN,NETHERLANDS
ALTONA, C
.
MOLECULAR PHYSICS,
1976,
31
(05)
:1377
-1391
[6]
HOCKING WH, 1976, Z NATURFORSCH A, V31, P438
[7]
ABINITIO STUDY OF CONFORMATIONS OF VINYL MERCAPTAN, METHYL VINYL SULFIDE, AND METHYL ALLENYL SULFIDE
[J].
KAO, J
论文数:
0
引用数:
0
h-index:
0
KAO, J
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(15)
:4685
-4693
[8]
FAR-INFRARED GAS SPECTRA OF PHENOL, 4-FLUOROPHENOL, THIOPHENOL AND SOME DEUTERATED SPECIES - BARRIER TO INTERNAL-ROTATION
[J].
LARSEN, NW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 5,DK-2100 COPENHAGEN,DENMARK
UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 5,DK-2100 COPENHAGEN,DENMARK
LARSEN, NW
;
NICOLAIS.FM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 5,DK-2100 COPENHAGEN,DENMARK
UNIV COPENHAGEN,HC ORSTED INST,CHEM LAB 5,DK-2100 COPENHAGEN,DENMARK
NICOLAIS.FM
.
JOURNAL OF MOLECULAR STRUCTURE,
1974,
22
(01)
:29
-43
[9]
ABINITIO STUDY OF ROTATIONAL-ISOMERISM, VIBRATIONAL FORCE-FIELD AND FREQUENCIES OF VINYL MERCAPTAN
[J].
LISTER, DG
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM FIS & SPETTROSCOP,I-40136 BOLOGNA,ITALY
LISTER, DG
;
PALMIERI, P
论文数:
0
引用数:
0
h-index:
0
机构:
IST CHIM FIS & SPETTROSCOP,I-40136 BOLOGNA,ITALY
PALMIERI, P
.
JOURNAL OF MOLECULAR STRUCTURE,
1978,
48
(01)
:133
-138
[10]
EFFICIENT ABINITIO GRADIENT PROGRAM
[J].
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
Department of General and Inorganic Chemistry, Eötvös L. University, Budapest, H-1088
PULAY, P
.
THEORETICA CHIMICA ACTA,
1979,
50
(04)
:299
-312
←
1
2
→