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COMPARISON OF THE MAGNETIC-PROPERTIES AND HARMONIC FORCE-FIELDS OF NO2 AND CO2-BY ABINITIO CALCULATION
被引:9
作者
:
CARMICHAEL, I
论文数:
0
引用数:
0
h-index:
0
CARMICHAEL, I
BENTLEY, J
论文数:
0
引用数:
0
h-index:
0
BENTLEY, J
机构
:
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1985年
/ 89卷
/ 13期
关键词
:
D O I
:
10.1021/j100259a049
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:2951 / 2954
页数:4
相关论文
共 37 条
[1]
AB-INITIO MO LCAO UHF CALCULATIONS OF MAGNETIC HYPERFINE INTERACTIONS IN SIGMA-RADICALS ISOTROPIC AND ANISOTROPIC COUPLINGS OF NO2 AND CO2-
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM,INST THEORET PHYS,STOCKHOLM,SWEDEN
ALMLOF, J
LUND, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM,INST THEORET PHYS,STOCKHOLM,SWEDEN
LUND, A
THUOMAS, KA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM,INST THEORET PHYS,STOCKHOLM,SWEDEN
THUOMAS, KA
[J].
CHEMICAL PHYSICS LETTERS,
1974,
28
(02)
: 179
-
181
[2]
AMOS AT, 1964, J CHEM PHYS, V41, P1773
[3]
BENTLEY J, UNPUB
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[5]
BINKLEY JS, 1978, QCPE, V12
[6]
MICROWAVE SPECTRUM OF NO2 - FINE STRUCTURE + MAGNETIC COUPLING
BIRD, GR
论文数:
0
引用数:
0
h-index:
0
BIRD, GR
RASTRUPANDERSEN, J
论文数:
0
引用数:
0
h-index:
0
RASTRUPANDERSEN, J
BRANSFORD, JW
论文数:
0
引用数:
0
h-index:
0
BRANSFORD, JW
CURL, RF
论文数:
0
引用数:
0
h-index:
0
CURL, RF
KUNKLE, AC
论文数:
0
引用数:
0
h-index:
0
KUNKLE, AC
HODGESON, JA
论文数:
0
引用数:
0
h-index:
0
HODGESON, JA
JACHE, AW
论文数:
0
引用数:
0
h-index:
0
JACHE, AW
BAIRD, JC
论文数:
0
引用数:
0
h-index:
0
BAIRD, JC
ROSENTHAL, J
论文数:
0
引用数:
0
h-index:
0
ROSENTHAL, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(11)
: 3378
-
&
[7]
RESONANCE RAMAN-SPECTROSCOPY OF MATRIX-ISOLATED NO2
BOLDUAN, F
论文数:
0
引用数:
0
h-index:
0
BOLDUAN, F
JODL, HJ
论文数:
0
引用数:
0
h-index:
0
JODL, HJ
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1982,
91
(02)
: 404
-
415
[8]
CARMICHAEL I, UNPUB
[9]
CUNNINGHAM J, 1968, RADICAL IONS, pCH11
[10]
De Boor C., 1978, PRACTICAL GUIDE SPLI, V27
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1
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共 37 条
[1]
AB-INITIO MO LCAO UHF CALCULATIONS OF MAGNETIC HYPERFINE INTERACTIONS IN SIGMA-RADICALS ISOTROPIC AND ANISOTROPIC COUPLINGS OF NO2 AND CO2-
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM,INST THEORET PHYS,STOCKHOLM,SWEDEN
ALMLOF, J
LUND, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM,INST THEORET PHYS,STOCKHOLM,SWEDEN
LUND, A
THUOMAS, KA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STOCKHOLM,INST THEORET PHYS,STOCKHOLM,SWEDEN
THUOMAS, KA
[J].
CHEMICAL PHYSICS LETTERS,
1974,
28
(02)
: 179
-
181
[2]
AMOS AT, 1964, J CHEM PHYS, V41, P1773
[3]
BENTLEY J, UNPUB
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[5]
BINKLEY JS, 1978, QCPE, V12
[6]
MICROWAVE SPECTRUM OF NO2 - FINE STRUCTURE + MAGNETIC COUPLING
BIRD, GR
论文数:
0
引用数:
0
h-index:
0
BIRD, GR
RASTRUPANDERSEN, J
论文数:
0
引用数:
0
h-index:
0
RASTRUPANDERSEN, J
BRANSFORD, JW
论文数:
0
引用数:
0
h-index:
0
BRANSFORD, JW
CURL, RF
论文数:
0
引用数:
0
h-index:
0
CURL, RF
KUNKLE, AC
论文数:
0
引用数:
0
h-index:
0
KUNKLE, AC
HODGESON, JA
论文数:
0
引用数:
0
h-index:
0
HODGESON, JA
JACHE, AW
论文数:
0
引用数:
0
h-index:
0
JACHE, AW
BAIRD, JC
论文数:
0
引用数:
0
h-index:
0
BAIRD, JC
ROSENTHAL, J
论文数:
0
引用数:
0
h-index:
0
ROSENTHAL, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(11)
: 3378
-
&
[7]
RESONANCE RAMAN-SPECTROSCOPY OF MATRIX-ISOLATED NO2
BOLDUAN, F
论文数:
0
引用数:
0
h-index:
0
BOLDUAN, F
JODL, HJ
论文数:
0
引用数:
0
h-index:
0
JODL, HJ
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1982,
91
(02)
: 404
-
415
[8]
CARMICHAEL I, UNPUB
[9]
CUNNINGHAM J, 1968, RADICAL IONS, pCH11
[10]
De Boor C., 1978, PRACTICAL GUIDE SPLI, V27
←
1
2
3
4
→