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THEORETICAL PREDICTION OF VIBRATIONAL-SPECTRA .1. THE INPLANE FORCE-FIELD AND VIBRATIONAL-SPECTRA OF PYRIDINE
被引:151
作者
:
PONGOR, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
PONGOR, G
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
PULAY, P
论文数:
引用数:
h-index:
机构:
FOGARASI, G
BOGGS, JE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
BOGGS, JE
机构
:
[1]
UNIV ARKANSAS,DEPT CHEM,FAYETTEVILLE,AR 72701
[2]
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1984年
/ 106卷
/ 10期
关键词
:
D O I
:
10.1021/ja00322a006
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:2765 / 2769
页数:5
相关论文
共 38 条
[1]
BEREZIN VI, 1963, OPT SPECTROSC, V15, P167
[2]
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
[3]
INFRARED SPECTRA OF CRYSTALLINE AND MATRIX ISOLATED PYRIDINE AND PYRIDINE-D5
[J].
CASTELLU.E
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratorio di Spettroscopia Molecolare, Università di Firenze, Firenze, via G. Capponi
CASTELLU.E
;
SBRANA, G
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratorio di Spettroscopia Molecolare, Università di Firenze, Firenze, via G. Capponi
SBRANA, G
;
VERDERAM.FD
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratorio di Spettroscopia Molecolare, Università di Firenze, Firenze, via G. Capponi
VERDERAM.FD
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(09)
:3762
-&
[4]
THE VIBRATIONAL SPECTRA OF PYRIDINE AND PYRIDINE-D5
[J].
CORRSIN, L
论文数:
0
引用数:
0
h-index:
0
CORRSIN, L
;
FAX, BJ
论文数:
0
引用数:
0
h-index:
0
FAX, BJ
;
LORD, RC
论文数:
0
引用数:
0
h-index:
0
LORD, RC
.
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(07)
:1170
-1176
[5]
INTERMOLECULAR FORCE-FIELD OF HYDROGEN-BOND
[J].
CUMMINGS, DL
论文数:
0
引用数:
0
h-index:
0
机构:
IMPERIAL COLL, DEPT CHEM, LONDON SW7 2AY, ENGLAND
IMPERIAL COLL, DEPT CHEM, LONDON SW7 2AY, ENGLAND
CUMMINGS, DL
;
WOOD, JL
论文数:
0
引用数:
0
h-index:
0
机构:
IMPERIAL COLL, DEPT CHEM, LONDON SW7 2AY, ENGLAND
IMPERIAL COLL, DEPT CHEM, LONDON SW7 2AY, ENGLAND
WOOD, JL
.
JOURNAL OF MOLECULAR STRUCTURE,
1974,
20
(01)
:1
-40
[6]
VIBRATIONAL-SPECTRA OF C2V-DEUTERIUM SUBSTITUTED PYRIDINES .2. PYRIDINE, PYRIDINE-4-D, PYRIDINE-2,6-D2 AND PYRIDINE-2,4,6-D3
[J].
DILELLA, DP
论文数:
0
引用数:
0
h-index:
0
DILELLA, DP
;
STIDHAM, HD
论文数:
0
引用数:
0
h-index:
0
STIDHAM, HD
.
JOURNAL OF RAMAN SPECTROSCOPY,
1980,
9
(02)
:90
-106
[7]
VIBRATIONAL-SPECTRA OF C-2-NU DEUTERIUM SUBSTITUTED PYRIDINES .3. PYRIDINE-3,5-D2 AND PYRIDINE-3,4,5-D3
[J].
DILELLA, DP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003
UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003
DILELLA, DP
.
JOURNAL OF RAMAN SPECTROSCOPY,
1980,
9
(04)
:239
-246
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[9]
ROTATION-VIBRATION SPECTRA OF DIATOMIC AND SIMPLE POLYATOMIC MOLECULES WITH LONG ABSORBING PATHS .9. THE SPECTRA OF THE HCN AND DCN MOLECULES FROM 2.5-MU TO 0.5-MU
[J].
DOUGLAS, AE
论文数:
0
引用数:
0
h-index:
0
DOUGLAS, AE
;
SHARMA, D
论文数:
0
引用数:
0
h-index:
0
SHARMA, D
.
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(03)
:448
-458
[10]
PREDICTION OF VIBRATIONAL-SPECTRA BY CNDO-2 FORCE METHOD .3. IN-PLANE VIBRATIONS OF BENZENE
[J].
FOGARASI, G
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN & INORG CHEM,H-1088 BUDAPEST,HUNGARY
EOTVOS LORAND UNIV,DEPT GEN & INORG CHEM,H-1088 BUDAPEST,HUNGARY
FOGARASI, G
;
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN & INORG CHEM,H-1088 BUDAPEST,HUNGARY
EOTVOS LORAND UNIV,DEPT GEN & INORG CHEM,H-1088 BUDAPEST,HUNGARY
PULAY, P
.
JOURNAL OF MOLECULAR STRUCTURE,
1977,
39
(02)
:275
-280
←
1
2
3
4
→
共 38 条
[1]
BEREZIN VI, 1963, OPT SPECTROSC, V15, P167
[2]
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
[3]
INFRARED SPECTRA OF CRYSTALLINE AND MATRIX ISOLATED PYRIDINE AND PYRIDINE-D5
[J].
CASTELLU.E
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratorio di Spettroscopia Molecolare, Università di Firenze, Firenze, via G. Capponi
CASTELLU.E
;
SBRANA, G
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratorio di Spettroscopia Molecolare, Università di Firenze, Firenze, via G. Capponi
SBRANA, G
;
VERDERAM.FD
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratorio di Spettroscopia Molecolare, Università di Firenze, Firenze, via G. Capponi
VERDERAM.FD
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(09)
:3762
-&
[4]
THE VIBRATIONAL SPECTRA OF PYRIDINE AND PYRIDINE-D5
[J].
CORRSIN, L
论文数:
0
引用数:
0
h-index:
0
CORRSIN, L
;
FAX, BJ
论文数:
0
引用数:
0
h-index:
0
FAX, BJ
;
LORD, RC
论文数:
0
引用数:
0
h-index:
0
LORD, RC
.
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(07)
:1170
-1176
[5]
INTERMOLECULAR FORCE-FIELD OF HYDROGEN-BOND
[J].
CUMMINGS, DL
论文数:
0
引用数:
0
h-index:
0
机构:
IMPERIAL COLL, DEPT CHEM, LONDON SW7 2AY, ENGLAND
IMPERIAL COLL, DEPT CHEM, LONDON SW7 2AY, ENGLAND
CUMMINGS, DL
;
WOOD, JL
论文数:
0
引用数:
0
h-index:
0
机构:
IMPERIAL COLL, DEPT CHEM, LONDON SW7 2AY, ENGLAND
IMPERIAL COLL, DEPT CHEM, LONDON SW7 2AY, ENGLAND
WOOD, JL
.
JOURNAL OF MOLECULAR STRUCTURE,
1974,
20
(01)
:1
-40
[6]
VIBRATIONAL-SPECTRA OF C2V-DEUTERIUM SUBSTITUTED PYRIDINES .2. PYRIDINE, PYRIDINE-4-D, PYRIDINE-2,6-D2 AND PYRIDINE-2,4,6-D3
[J].
DILELLA, DP
论文数:
0
引用数:
0
h-index:
0
DILELLA, DP
;
STIDHAM, HD
论文数:
0
引用数:
0
h-index:
0
STIDHAM, HD
.
JOURNAL OF RAMAN SPECTROSCOPY,
1980,
9
(02)
:90
-106
[7]
VIBRATIONAL-SPECTRA OF C-2-NU DEUTERIUM SUBSTITUTED PYRIDINES .3. PYRIDINE-3,5-D2 AND PYRIDINE-3,4,5-D3
[J].
DILELLA, DP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003
UNIV MASSACHUSETTS,DEPT CHEM,AMHERST,MA 01003
DILELLA, DP
.
JOURNAL OF RAMAN SPECTROSCOPY,
1980,
9
(04)
:239
-246
[8]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[9]
ROTATION-VIBRATION SPECTRA OF DIATOMIC AND SIMPLE POLYATOMIC MOLECULES WITH LONG ABSORBING PATHS .9. THE SPECTRA OF THE HCN AND DCN MOLECULES FROM 2.5-MU TO 0.5-MU
[J].
DOUGLAS, AE
论文数:
0
引用数:
0
h-index:
0
DOUGLAS, AE
;
SHARMA, D
论文数:
0
引用数:
0
h-index:
0
SHARMA, D
.
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(03)
:448
-458
[10]
PREDICTION OF VIBRATIONAL-SPECTRA BY CNDO-2 FORCE METHOD .3. IN-PLANE VIBRATIONS OF BENZENE
[J].
FOGARASI, G
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN & INORG CHEM,H-1088 BUDAPEST,HUNGARY
EOTVOS LORAND UNIV,DEPT GEN & INORG CHEM,H-1088 BUDAPEST,HUNGARY
FOGARASI, G
;
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
EOTVOS LORAND UNIV,DEPT GEN & INORG CHEM,H-1088 BUDAPEST,HUNGARY
EOTVOS LORAND UNIV,DEPT GEN & INORG CHEM,H-1088 BUDAPEST,HUNGARY
PULAY, P
.
JOURNAL OF MOLECULAR STRUCTURE,
1977,
39
(02)
:275
-280
←
1
2
3
4
→