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GEOMETRIES, HARMONIC FREQUENCIES AND INFRARED AND RAMAN INTENSITIES FOR H2O, NH3 AND CH4
被引:30
作者
:
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
机构
:
来源
:
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II
|
1987年
/ 83卷
关键词
:
D O I
:
10.1039/f29878301595
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:1595 / 1607
页数:13
相关论文
共 41 条
[1]
THEORETICAL CALCULATION OF OZONE VIBRATIONAL INFRARED INTENSITIES
ADLERGOLDEN, SM
论文数:
0
引用数:
0
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0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
ADLERGOLDEN, SM
LANGHOFF, SR
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0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
LANGHOFF, SR
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
BAUSCHLICHER, CW
CARNEY, GD
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
CARNEY, GD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(01)
: 255
-
264
[2]
Amos R. D., 1987, ADV CHEM PHYS, V67, P99
[3]
DIPOLE-MOMENT DERIVATIVES OF H2O AND H2S
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
[J].
CHEMICAL PHYSICS LETTERS,
1984,
108
(02)
: 185
-
190
[4]
CALCULATION OF POLARIZABILITY DERIVATIVES USING ANALYTIC GRADIENT METHODS
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
[J].
CHEMICAL PHYSICS LETTERS,
1986,
124
(04)
: 376
-
381
[5]
AMOS RD, CADPAC CAMBRIDGE ANA
[6]
ON THE CALCULATION OF DIPOLE-MOMENT AND POLARIZABILITY DERIVATIVES BY THE ANALYTICAL ENERGY GRADIENT-METHOD - APPLICATION TO THE FORMALDEHYDE MOLECULE
BACSKAY, GB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
BACSKAY, GB
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
SAEBO, S
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
TAYLOR, PR
[J].
CHEMICAL PHYSICS,
1984,
90
(03)
: 215
-
224
[7]
AN ABINITIO CALCULATION OF THE FREQUENCIES AND IR INTENSITIES OF THE STRETCHING VIBRATIONS OF HN-2+
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
[J].
CHEMICAL PHYSICS LETTERS,
1984,
107
(06)
: 535
-
541
[8]
AN ABINITIO CALCULATION OF THE EQUILIBRIUM GEOMETRY AND BARRIER HEIGHT TO INVERSION OF H3O+ AND THE PROTON AFFINITY OF H2O
BOTSCHWINA, P
论文数:
0
引用数:
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h-index:
0
BOTSCHWINA, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(11)
: 6523
-
6524
[9]
BASIS SET LIMIT GEOMETRIES FOR AMMONIA AT THE SCF AND MP2 LEVELS OF THEORY
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
DEFREES, DJ
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
MCLEAN, AD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(07)
: 3353
-
3355
[10]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
←
1
2
3
4
5
→
共 41 条
[1]
THEORETICAL CALCULATION OF OZONE VIBRATIONAL INFRARED INTENSITIES
ADLERGOLDEN, SM
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
ADLERGOLDEN, SM
LANGHOFF, SR
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
LANGHOFF, SR
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
BAUSCHLICHER, CW
CARNEY, GD
论文数:
0
引用数:
0
h-index:
0
机构:
NASA,AMES RES CTR,MOFFETT FIELD,CA 94035
CARNEY, GD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
83
(01)
: 255
-
264
[2]
Amos R. D., 1987, ADV CHEM PHYS, V67, P99
[3]
DIPOLE-MOMENT DERIVATIVES OF H2O AND H2S
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
[J].
CHEMICAL PHYSICS LETTERS,
1984,
108
(02)
: 185
-
190
[4]
CALCULATION OF POLARIZABILITY DERIVATIVES USING ANALYTIC GRADIENT METHODS
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
[J].
CHEMICAL PHYSICS LETTERS,
1986,
124
(04)
: 376
-
381
[5]
AMOS RD, CADPAC CAMBRIDGE ANA
[6]
ON THE CALCULATION OF DIPOLE-MOMENT AND POLARIZABILITY DERIVATIVES BY THE ANALYTICAL ENERGY GRADIENT-METHOD - APPLICATION TO THE FORMALDEHYDE MOLECULE
BACSKAY, GB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
BACSKAY, GB
SAEBO, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
SAEBO, S
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ARKANSAS, DEPT CHEM, FAYETTEVILLE, AR 72701 USA
TAYLOR, PR
[J].
CHEMICAL PHYSICS,
1984,
90
(03)
: 215
-
224
[7]
AN ABINITIO CALCULATION OF THE FREQUENCIES AND IR INTENSITIES OF THE STRETCHING VIBRATIONS OF HN-2+
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
[J].
CHEMICAL PHYSICS LETTERS,
1984,
107
(06)
: 535
-
541
[8]
AN ABINITIO CALCULATION OF THE EQUILIBRIUM GEOMETRY AND BARRIER HEIGHT TO INVERSION OF H3O+ AND THE PROTON AFFINITY OF H2O
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(11)
: 6523
-
6524
[9]
BASIS SET LIMIT GEOMETRIES FOR AMMONIA AT THE SCF AND MP2 LEVELS OF THEORY
DEFREES, DJ
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
DEFREES, DJ
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
IBM CORP, RES LAB, SAN JOSE, CA 95193 USA
MCLEAN, AD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(07)
: 3353
-
3355
[10]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
←
1
2
3
4
5
→