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A SYMPOSIUM ON MOLECULAR ELECTRONIC-STRUCTURE CALCULATIONS - METHODS AND APPLICATIONS - ADDITIONAL REMARKS
被引:0
作者
:
WERNER, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV FRANKFURT, D-6000 FRANKFURT 70, FED REP GER
UNIV FRANKFURT, D-6000 FRANKFURT 70, FED REP GER
WERNER, HJ
[
1
]
机构
:
[1]
UNIV FRANKFURT, D-6000 FRANKFURT 70, FED REP GER
来源
:
FARADAY SYMPOSIA OF THE CHEMICAL SOCIETY
|
1984年
/ 19期
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:
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学科分类号
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页码:202 / 204
页数:3
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AB-INITIO STUDY OF X2-PI AND A2-SIGMA+ STATES OF OH .1. POTENTIAL CURVES AND PROPERTIES
CHU, SI
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SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
LIU, B
[J].
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AN EFFICIENT 2ND-ORDER MC SCF METHOD FOR LONG CONFIGURATION EXPANSIONS
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WERNER, HJ
[J].
CHEMICAL PHYSICS LETTERS,
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115
(03)
: 259
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267
[3]
CALCULATED VIBRATIONAL TRANSITION-PROBABILITIES OF OH(CHI2 PI)
MIES, FH
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[J].
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[4]
INFRARED EMISSION OF OH IN FUNDAMENTAL AND FIRST OVERTONE BANDS
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[J].
JOURNAL OF CHEMICAL PHYSICS,
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[5]
EXPERIMENTAL OSCILLATOR-STRENGTHS IN INFRARED VIBRATION-ROTATION SPECTRUM OF HYDROXYL RADICAL
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UNIV CLAUDE BERNARD,CNRS,LAB SPECTROMET IONIQUE & MOLEC,VILLEURBANNE,FRANCE
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UNIV CLAUDE BERNARD,CNRS,LAB SPECTROMET IONIQUE & MOLEC,VILLEURBANNE,FRANCE
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[J].
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STUDY OF GROUND-STATE POTENTIAL CURVE AND DIPOLE-MOMENT OF OH BY METHOD OF OPTIMIZED VALENCE CONFIGURATIONS
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UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
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[J].
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1985,
113
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: 451
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[9]
MOLECULAR-PROPERTIES FROM MCSCF-SCEP WAVE-FUNCTIONS .1. ACCURATE DIPOLE-MOMENT FUNCTIONS OF OH, OH-, AND OH+
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REINSCH, EA
论文数:
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REINSCH, EA
[J].
JOURNAL OF CHEMICAL PHYSICS,
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(02)
: 905
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[10]
WERNER HJ, COMPARISON ABINITIO
←
1
→
共 10 条
[1]
AB-INITIO STUDY OF X2-PI AND A2-SIGMA+ STATES OF OH .1. POTENTIAL CURVES AND PROPERTIES
CHU, SI
论文数:
0
引用数:
0
h-index:
0
机构:
SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
CHU, SI
YOSHIMINE, M
论文数:
0
引用数:
0
h-index:
0
机构:
SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
YOSHIMINE, M
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
SMITHSONIAN ASTROPHYS OBSERV,CAMBRIDGE,MA 02138
LIU, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(12)
: 5389
-
5395
[2]
AN EFFICIENT 2ND-ORDER MC SCF METHOD FOR LONG CONFIGURATION EXPANSIONS
KNOWLES, PJ
论文数:
0
引用数:
0
h-index:
0
KNOWLES, PJ
WERNER, HJ
论文数:
0
引用数:
0
h-index:
0
WERNER, HJ
[J].
CHEMICAL PHYSICS LETTERS,
1985,
115
(03)
: 259
-
267
[3]
CALCULATED VIBRATIONAL TRANSITION-PROBABILITIES OF OH(CHI2 PI)
MIES, FH
论文数:
0
引用数:
0
h-index:
0
机构:
NBS, WASHINGTON, DC 20234 USA
NBS, WASHINGTON, DC 20234 USA
MIES, FH
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1974,
53
(02)
: 150
-
188
[4]
INFRARED EMISSION OF OH IN FUNDAMENTAL AND FIRST OVERTONE BANDS
MURPHY, RE
论文数:
0
引用数:
0
h-index:
0
MURPHY, RE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(11)
: 4852
-
&
[5]
EXPERIMENTAL OSCILLATOR-STRENGTHS IN INFRARED VIBRATION-ROTATION SPECTRUM OF HYDROXYL RADICAL
ROUX, F
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CLAUDE BERNARD,CNRS,LAB SPECTROMET IONIQUE & MOLEC,VILLEURBANNE,FRANCE
UNIV CLAUDE BERNARD,CNRS,LAB SPECTROMET IONIQUE & MOLEC,VILLEURBANNE,FRANCE
ROUX, F
DINCAN, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CLAUDE BERNARD,CNRS,LAB SPECTROMET IONIQUE & MOLEC,VILLEURBANNE,FRANCE
UNIV CLAUDE BERNARD,CNRS,LAB SPECTROMET IONIQUE & MOLEC,VILLEURBANNE,FRANCE
DINCAN, J
CERNY, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CLAUDE BERNARD,CNRS,LAB SPECTROMET IONIQUE & MOLEC,VILLEURBANNE,FRANCE
UNIV CLAUDE BERNARD,CNRS,LAB SPECTROMET IONIQUE & MOLEC,VILLEURBANNE,FRANCE
CERNY, D
[J].
ASTROPHYSICAL JOURNAL,
1973,
186
(03)
: 1141
-
1156
[6]
STUDY OF GROUND-STATE POTENTIAL CURVE AND DIPOLE-MOMENT OF OH BY METHOD OF OPTIMIZED VALENCE CONFIGURATIONS
STEVENS, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,ARGONNE,IL 60439
STEVENS, WJ
DAS, G
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,ARGONNE,IL 60439
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,ARGONNE,IL 60439
WAHL, AC
KRAUSS, M
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,ARGONNE,IL 60439
KRAUSS, M
NEUMANN, D
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,ARGONNE,IL 60439
NEUMANN, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(09)
: 3686
-
3699
[7]
Werner H.-J., J CHEM PHYS
[8]
UNLINKED CLUSTER AND RELATIVISTIC CONTRIBUTIONS TO THE BONDING IN CU-2
WERNER, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
WERNER, HJ
MARTIN, RL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS NATL LAB,DIV THEORET,LOS ALAMOS,NM 87545
MARTIN, RL
[J].
CHEMICAL PHYSICS LETTERS,
1985,
113
(05)
: 451
-
456
[9]
MOLECULAR-PROPERTIES FROM MCSCF-SCEP WAVE-FUNCTIONS .1. ACCURATE DIPOLE-MOMENT FUNCTIONS OF OH, OH-, AND OH+
WERNER, HJ
论文数:
0
引用数:
0
h-index:
0
WERNER, HJ
ROSMUS, P
论文数:
0
引用数:
0
h-index:
0
ROSMUS, P
REINSCH, EA
论文数:
0
引用数:
0
h-index:
0
REINSCH, EA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(02)
: 905
-
916
[10]
WERNER HJ, COMPARISON ABINITIO
←
1
→