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THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA - SCALED QUANTUM-MECHANICAL (SQM) FORCE-FIELD FOR FLUOROBENZENE
被引:46
作者
:
FOGARASI, G
论文数:
0
引用数:
0
h-index:
0
FOGARASI, G
CSASZAR, AG
论文数:
0
引用数:
0
h-index:
0
CSASZAR, AG
机构
:
来源
:
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
|
1988年
/ 44卷
/ 11期
关键词
:
D O I
:
10.1016/0584-8539(88)80074-6
中图分类号
:
O433 [光谱学];
学科分类号
:
0703 ;
070302 ;
摘要
:
引用
收藏
页码:1067 / 1077
页数:11
相关论文
共 54 条
[1]
MICROWAVE DETERMINATION OF THE STRUCTURE OF FLUOROBENZENE
BAK, B
论文数:
0
引用数:
0
h-index:
0
BAK, B
CHRISTENSEN, D
论文数:
0
引用数:
0
h-index:
0
CHRISTENSEN, D
HANSENNYGAARD, L
论文数:
0
引用数:
0
h-index:
0
HANSENNYGAARD, L
TANNENBAUM, E
论文数:
0
引用数:
0
h-index:
0
TANNENBAUM, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1957,
26
(01)
: 134
-
137
[2]
STUDY ON GVFF OF CHF3, CH2F2, AND CH3F
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
BLOM, CE
MULLER, A
论文数:
0
引用数:
0
h-index:
0
MULLER, A
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1978,
70
(03)
: 449
-
458
[3]
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
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
[J].
MOLECULAR PHYSICS,
1976,
31
(05)
: 1377
-
1391
[4]
THE EFFECT OF INCLUDING POLARIZATION FUNCTIONS ON THE GEOMETRICAL PARAMETERS CALCULATED FOR BENZENE, FLUOROBENZENE AND CYANOBENZENE
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
BOCK, CW
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
TRACHTMAN, M
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
GEORGE, P
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1985,
6
(06)
: 592
-
597
[5]
BOCK CW, 1985, J MOL STRUC-THEOCHEM, V122, P155
[6]
STRUCTURES OF SOME FLUORINATED BENZENES DETERMINED BY ABINITIO COMPUTATION
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
BOGGS, JE
PANG, F
论文数:
0
引用数:
0
h-index:
0
PANG, F
PULAY, P
论文数:
0
引用数:
0
h-index:
0
PULAY, P
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 344
-
353
[7]
CSASZAR AG, IN PRESS
[8]
INFRARED-SPECTRUM OF C-13H3F AND GENERAL HARMONIC FORCE FIELD OF METHYL FLUORIDE
DUNCAN, JL
论文数:
0
引用数:
0
h-index:
0
DUNCAN, JL
SPEIRS, GK
论文数:
0
引用数:
0
h-index:
0
SPEIRS, GK
MCKEAN, DC
论文数:
0
引用数:
0
h-index:
0
MCKEAN, DC
[J].
MOLECULAR PHYSICS,
1972,
24
(03)
: 553
-
&
[9]
DUNCAN JL, 1970, J MOL STRUCT, V6, P477
[10]
VIBRATIONAL FORCE-FIELD OF HALOGENATED AROMATIC-MOLECULES - KEKULE ASSUMPTION AND STRUCTURAL CONSIDERATIONS
EATON, VJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON,ROY HOLLOWAY COLL,DEPT CHEM,EGHAM,SURREY,ENGLAND
UNIV LONDON,ROY HOLLOWAY COLL,DEPT CHEM,EGHAM,SURREY,ENGLAND
EATON, VJ
STEELE, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON,ROY HOLLOWAY COLL,DEPT CHEM,EGHAM,SURREY,ENGLAND
UNIV LONDON,ROY HOLLOWAY COLL,DEPT CHEM,EGHAM,SURREY,ENGLAND
STEELE, D
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1975,
54
(02)
: 312
-
317
←
1
2
3
4
5
6
→
共 54 条
[1]
MICROWAVE DETERMINATION OF THE STRUCTURE OF FLUOROBENZENE
BAK, B
论文数:
0
引用数:
0
h-index:
0
BAK, B
CHRISTENSEN, D
论文数:
0
引用数:
0
h-index:
0
CHRISTENSEN, D
HANSENNYGAARD, L
论文数:
0
引用数:
0
h-index:
0
HANSENNYGAARD, L
TANNENBAUM, E
论文数:
0
引用数:
0
h-index:
0
TANNENBAUM, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1957,
26
(01)
: 134
-
137
[2]
STUDY ON GVFF OF CHF3, CH2F2, AND CH3F
BLOM, CE
论文数:
0
引用数:
0
h-index:
0
BLOM, CE
MULLER, A
论文数:
0
引用数:
0
h-index:
0
MULLER, A
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1978,
70
(03)
: 449
-
458
[3]
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
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
[J].
MOLECULAR PHYSICS,
1976,
31
(05)
: 1377
-
1391
[4]
THE EFFECT OF INCLUDING POLARIZATION FUNCTIONS ON THE GEOMETRICAL PARAMETERS CALCULATED FOR BENZENE, FLUOROBENZENE AND CYANOBENZENE
BOCK, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
BOCK, CW
TRACHTMAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
TRACHTMAN, M
GEORGE, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
UNIV PENN,DEPT BIOL,PHILADELPHIA,PA 19104
GEORGE, P
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1985,
6
(06)
: 592
-
597
[5]
BOCK CW, 1985, J MOL STRUC-THEOCHEM, V122, P155
[6]
STRUCTURES OF SOME FLUORINATED BENZENES DETERMINED BY ABINITIO COMPUTATION
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
BOGGS, JE
PANG, F
论文数:
0
引用数:
0
h-index:
0
PANG, F
PULAY, P
论文数:
0
引用数:
0
h-index:
0
PULAY, P
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 344
-
353
[7]
CSASZAR AG, IN PRESS
[8]
INFRARED-SPECTRUM OF C-13H3F AND GENERAL HARMONIC FORCE FIELD OF METHYL FLUORIDE
DUNCAN, JL
论文数:
0
引用数:
0
h-index:
0
DUNCAN, JL
SPEIRS, GK
论文数:
0
引用数:
0
h-index:
0
SPEIRS, GK
MCKEAN, DC
论文数:
0
引用数:
0
h-index:
0
MCKEAN, DC
[J].
MOLECULAR PHYSICS,
1972,
24
(03)
: 553
-
&
[9]
DUNCAN JL, 1970, J MOL STRUCT, V6, P477
[10]
VIBRATIONAL FORCE-FIELD OF HALOGENATED AROMATIC-MOLECULES - KEKULE ASSUMPTION AND STRUCTURAL CONSIDERATIONS
EATON, VJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON,ROY HOLLOWAY COLL,DEPT CHEM,EGHAM,SURREY,ENGLAND
UNIV LONDON,ROY HOLLOWAY COLL,DEPT CHEM,EGHAM,SURREY,ENGLAND
EATON, VJ
STEELE, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LONDON,ROY HOLLOWAY COLL,DEPT CHEM,EGHAM,SURREY,ENGLAND
UNIV LONDON,ROY HOLLOWAY COLL,DEPT CHEM,EGHAM,SURREY,ENGLAND
STEELE, D
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1975,
54
(02)
: 312
-
317
←
1
2
3
4
5
6
→