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科研机构
北京大学 [4]
上海微系统与信息技术... [4]
厦门大学 [3]
大连化学物理研究所 [2]
长春应用化学研究所 [1]
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期刊论文 [14]
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2014 [1]
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2004 [2]
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Chemistry,... [4]
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Relativistic GVVPT2 Multireference Perturbation Theory Description of the Electronic States of Y-2 and Tc-2
期刊论文
journal of physical chemistry a, 2014
Tamukong, Patrick K.
;
Hoffmann, Mark R.
;
Li, Zhendong
;
Liu, Wenjian
收藏
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浏览/下载:2/0
  |  
提交时间:2015/11/11
TRANSITION-METAL ATOMS
RARE-GAS MATRICES
ANO BASIS-SETS
SPIN-RESONANCE
GROUND-STATE
TECHNETIUM
DIMERS
SPECTROSCOPY
MOLECULES
MANGANESE
One-dimensional luminescent materials derived from the electrospinning process: preparation, characteristics and application
期刊论文
journal of materials chemistry, 2012, 卷号: 22, 期号: 12, 页码: 5254-5276
Hou ZY
;
Li GG
;
Lian HZ
;
Lin J
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  |  
浏览/下载:35/0
  |  
提交时间:2013/06/30
GAS-SENSING PROPERTIES
LIGHT-EMITTING-DIODES
COMPLEX/POLYMER COMPOSITE FIBERS
RESONANCE ENERGY-TRANSFER
DOPED TITANIA NANOFIBERS
RARE-EARTH IONS
PHOTOLUMINESCENCE PROPERTIES
TIO2 NANOFIBERS
MAGNETIC-PROPERTIES
OPTICAL-PROPERTIES
Dynamical Structures of Glycol and Ethanedithiol Examined by Infrared Spectroscopy, Ab Initio Computation, and Molecular Dynamics Simulations
期刊论文
journal of physical chemistry b, 2011, 卷号: 115, 期号: 5, 页码: 1175-1187
作者:
Ma, Xiaoyan
;
Cai, Kaicong
;
Wang, Jianping
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  |  
浏览/下载:17/0
  |  
提交时间:2015/11/12
Theoretical study of hydrogen bonding interaction of 1 : 1 dimer of HNO with HArF
期刊论文
chinese journal of chemical physics, 2007, 卷号: 20, 期号: 1, 页码: 37-42
作者:
Liu, Ying
;
Liu, Wen-qing
;
Li, Hai-yang
;
Yang, Yong
;
Cheng, Shuang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2015/11/11
blue-shifted hydrogen bond
atoms in molecules topological analysis
natural bond orbital analysis
electron density redistribution
Unusual magnetic properties of mixed-valence system: Multiconfigurational method theoretical study on Mn-2(+) cation
期刊论文
journal of chemical physics, 2005
Wang, BW
;
Chen, ZD
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  |  
浏览/下载:4/0
  |  
提交时间:2015/11/11
2ND-ORDER PERTURBATION-THEORY
TRANSITION-METAL DIATOMICS
RARE-GAS MATRICES
DISSOCIATION-ENERGY
MANGANESE DIMER
CLUSTER IONS
MOLECULE
PHOTODISSOCIATION
SPECTROSCOPY
CRMN
A diradical mechanism for the addition of F-2 to ethene: A density functional theory study
期刊论文
journal of chemical physics, 2004
Wang, BW
;
Chan, L
;
Chan, SP
;
Chen, ZD
;
Liu, ZF
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浏览/下载:3/0
  |  
提交时间:2015/11/12
SELECTIVE VIBRATIONAL-EXCITATION
ETHYLENE FLUORINE REACTION
POTENTIAL-ENERGY SURFACES
CHARGE-TRANSFER COMPLEXES
COUPLED-CLUSTER THEORY
WALL CARBON NANOTUBES
MOLECULAR FLUORINE
REACTION DYNAMICS
ELEMENTAL FLUORINE
NITROGEN MATRIX
Magnetic coupling interaction under different spin multiplets in neutral manganese dimer: CASPT2 theoretical investigation
期刊论文
化学物理学快报, 2004
Wang, BW
;
Chen, ZD
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  |  
浏览/下载:1/0
  |  
提交时间:2015/11/12
TRANSITION-METAL DIATOMICS
MULTIREFERENCE PERTURBATION-THEORY
DENSITY-FUNCTIONAL THEORY
RARE-GAS MATRICES
ELECTRONIC-STRUCTURE
MN CLUSTERS
MOLECULE
ENERGY
MN-2+
CRMN
Electronic states of Al3P2, Al2P3, and their ions
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 卷号: 105, 期号: 50, 页码: 11295-11303
Balasubramanian, K
;
Feng, PY
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  |  
浏览/下载:21/0
  |  
提交时间:2012/03/24
ANION PHOTOELECTRON-SPECTROSCOPY
KINETIC-ENERGY SPECTROSCOPY
GALLIUM-ARSENIDE CLUSTERS
INDIUM-PHOSPHIDE CLUSTERS
SMALL GAAS CLUSTERS
RARE-GAS MATRICES
CONFIGURATION-INTERACTION
SEMICONDUCTOR CLUSTERS
ALUMINUM PHOSPHIDE
INFRARED SPECTRA
Collision-induced dissociation and density functional study of the structures and energies of cyclic C2nN5- clusters
期刊论文
http://dx.doi.org/10.1063/1.481548, 2000
Tang, Z. C.
;
BelBruno, J. J.
;
Huang, R. B.
;
Zheng, L. S.
;
黄荣彬
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2013/12/12
RARE-GAS MATRICES
CARBON MOLECULES
NEURAL NETWORKS
CHEMISTRY
C5N2
Collision-induced dissociation and density functional study of the structures and energies of cyclic C2nN5- clusters
期刊论文
http://dx.doi.org/10.1063/1.481548, 2000
Tang, Z. C.
;
BelBruno, J. J.
;
Huang, R. B.
;
Zheng, L. S.
;
郑兰荪
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2013/12/12
RARE-GAS MATRICES
CARBON MOLECULES
NEURAL NETWORKS
CHEMISTRY
C5N2
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