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ABINITIO THEORETICAL FREQUENCIES AND INTENSITIES IN THE INTERPRETATION OF INFRARED-SPECTRA
被引:31
作者
:
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
POLAVARAPU, PL
论文数:
0
引用数:
0
h-index:
0
POLAVARAPU, PL
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1984年
/ 106卷
/ 16期
关键词
:
D O I
:
10.1021/ja00328a008
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:4348 / 4352
页数:5
相关论文
共 14 条
[1]
BINKLEY JS, GAUSSIAN 80 QUANTUM
[2]
THE MICROWAVE SPECTRA, STRUCTURE, AND DIPOLE MOMENTS OF ETHYLENE OXIDE AND ETHYLENE SULFIDE
BOYD, AW
论文数:
0
引用数:
0
h-index:
0
BOYD, AW
MYERS, RJ
论文数:
0
引用数:
0
h-index:
0
MYERS, RJ
GWINN, WD
论文数:
0
引用数:
0
h-index:
0
GWINN, WD
LEVAN, WI
论文数:
0
引用数:
0
h-index:
0
LEVAN, WI
[J].
JOURNAL OF CHEMICAL PHYSICS,
1951,
19
(06)
: 676
-
685
[3]
ABINITIO STUDY OF THE STRUCTURES AND VIBRATIONAL-SPECTRA OF THE HUCKEL 4N HETEROCYCLES AZIRENE, OXIRENE, AND THIIRENE
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(03)
: 396
-
402
[4]
AN ABINITIO SCF STUDY OF THE STRUCTURE AND VIBRATIONAL-SPECTRUM OF THIIRENE
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
EWIG, CS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(07)
: 2507
-
2508
[5]
THEORETICAL VIBRATIONAL-SPECTRA AS A TOOL IN THE IDENTIFICATION OF UNUSUAL ORGANIC-MOLECULES
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
[J].
PURE AND APPLIED CHEMISTRY,
1983,
55
(02)
: 253
-
260
[6]
ABINITIO 2ND ORDER MOLLER-PLESSET CALCULATION OF THE VIBRATIONAL-SPECTRA OF CYCLOBUTADIENE AND ITS ISOTOPIC DERIVATIVES
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(04)
: 695
-
701
[7]
STRUCTURE OF CYCLOBUTADIENE - THEORETICAL DETERMINATION OF ITS INFRARED-SPECTRUM
KOLLMAR, H
论文数:
0
引用数:
0
h-index:
0
KOLLMAR, H
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
STAEMMLER, V
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(13)
: 4304
-
4305
[8]
ABINITIO PREDICTION OF STRUCTURES, FORCE-CONSTANTS, AND VIBRATIONAL FREQUENCIES - THE SATURATED 3-MEMBERED RINGS CYCLOPROPANE, ETHYLENE-OXIDE, AND ETHYLENE IMINE
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
KOMORNICKI, A
PAUZAT, F
论文数:
0
引用数:
0
h-index:
0
机构:
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
PAUZAT, F
ELLINGER, Y
论文数:
0
引用数:
0
h-index:
0
机构:
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
ELLINGER, Y
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(20)
: 3847
-
3857
[9]
INFRARED BAND INTENSITIES OF ETHYLENE-OXIDE
NAKANAGA, T
论文数:
0
引用数:
0
h-index:
0
NAKANAGA, T
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(10)
: 5384
-
5392
[10]
AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
Hungarian Academy of Sciences, Research Group for Inorganic Chemistry, Budapest
PULAY, P
[J].
MOLECULAR PHYSICS,
1969,
17
(02)
: 197
-
&
←
1
2
→
共 14 条
[1]
BINKLEY JS, GAUSSIAN 80 QUANTUM
[2]
THE MICROWAVE SPECTRA, STRUCTURE, AND DIPOLE MOMENTS OF ETHYLENE OXIDE AND ETHYLENE SULFIDE
BOYD, AW
论文数:
0
引用数:
0
h-index:
0
BOYD, AW
MYERS, RJ
论文数:
0
引用数:
0
h-index:
0
MYERS, RJ
GWINN, WD
论文数:
0
引用数:
0
h-index:
0
GWINN, WD
LEVAN, WI
论文数:
0
引用数:
0
h-index:
0
LEVAN, WI
[J].
JOURNAL OF CHEMICAL PHYSICS,
1951,
19
(06)
: 676
-
685
[3]
ABINITIO STUDY OF THE STRUCTURES AND VIBRATIONAL-SPECTRA OF THE HUCKEL 4N HETEROCYCLES AZIRENE, OXIRENE, AND THIIRENE
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(03)
: 396
-
402
[4]
AN ABINITIO SCF STUDY OF THE STRUCTURE AND VIBRATIONAL-SPECTRUM OF THIIRENE
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
EWIG, CS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(07)
: 2507
-
2508
[5]
THEORETICAL VIBRATIONAL-SPECTRA AS A TOOL IN THE IDENTIFICATION OF UNUSUAL ORGANIC-MOLECULES
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
[J].
PURE AND APPLIED CHEMISTRY,
1983,
55
(02)
: 253
-
260
[6]
ABINITIO 2ND ORDER MOLLER-PLESSET CALCULATION OF THE VIBRATIONAL-SPECTRA OF CYCLOBUTADIENE AND ITS ISOTOPIC DERIVATIVES
HESS, BA
论文数:
0
引用数:
0
h-index:
0
HESS, BA
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
CARSKY, P
SCHAAD, LJ
论文数:
0
引用数:
0
h-index:
0
SCHAAD, LJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1983,
105
(04)
: 695
-
701
[7]
STRUCTURE OF CYCLOBUTADIENE - THEORETICAL DETERMINATION OF ITS INFRARED-SPECTRUM
KOLLMAR, H
论文数:
0
引用数:
0
h-index:
0
KOLLMAR, H
STAEMMLER, V
论文数:
0
引用数:
0
h-index:
0
STAEMMLER, V
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(13)
: 4304
-
4305
[8]
ABINITIO PREDICTION OF STRUCTURES, FORCE-CONSTANTS, AND VIBRATIONAL FREQUENCIES - THE SATURATED 3-MEMBERED RINGS CYCLOPROPANE, ETHYLENE-OXIDE, AND ETHYLENE IMINE
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
KOMORNICKI, A
PAUZAT, F
论文数:
0
引用数:
0
h-index:
0
机构:
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
PAUZAT, F
ELLINGER, Y
论文数:
0
引用数:
0
h-index:
0
机构:
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
LAB ETUD DYNAM & STRUCT SELECT, CHIM THEOR GRP, F-38041 GRENOBLE, FRANCE
ELLINGER, Y
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(20)
: 3847
-
3857
[9]
INFRARED BAND INTENSITIES OF ETHYLENE-OXIDE
NAKANAGA, T
论文数:
0
引用数:
0
h-index:
0
NAKANAGA, T
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(10)
: 5384
-
5392
[10]
AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY
PULAY, P
论文数:
0
引用数:
0
h-index:
0
机构:
Hungarian Academy of Sciences, Research Group for Inorganic Chemistry, Budapest
PULAY, P
[J].
MOLECULAR PHYSICS,
1969,
17
(02)
: 197
-
&
←
1
2
→