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科研机构
北京大学 [28]
内容类型
期刊论文 [27]
其他 [1]
发表日期
2005 [4]
2004 [5]
2003 [4]
2002 [2]
2001 [6]
2000 [6]
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浏览/检索结果:
共28条,第1-10条
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专题:北京大学
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Magnetic exchange of trinuclear spin frustration system: CASPT2 and density functional theory study on hydroxo-bridged chromium complex [Cr-3(NH3)(10)(OH)(4)]center dot Br-5
期刊论文
化学物理学快报, 2005
Wei, HY
;
Wang, BW
;
Chen, ZD
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/12
2ND-ORDER PERTURBATION-THEORY
CORRELATION-ENERGY
APPROXIMATION
Theoretical study of the iodination of methoxybenzene by iodine monochloride
期刊论文
journal of physical organic chemistry, 2005
Wei, Y
;
Wang, BW
;
Hu, SW
;
Chu, TW
;
Tang, LT
;
Liu, XQ
;
Wang, Y
;
Wang, XY
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
density functional theory
iodination
iodine monochloride
methoxybenzene
transition state
solvent effects
CHARGE-TRANSFER COMPLEXES
AB-INITIO
AROMATIC HALOGENATION
DENSITY FUNCTIONALS
PI-COMPLEXES
BENZENE
INTERMEDIATE
CATION
SUBSTITUTION
BROMINATION
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
收藏
  |  
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
Ab initio multireference configuration-interaction theoretical study on the low-lying spin states in binuclear transition-metal complex: Magnetic exchange of [(NH3)(5)Cr(mu-OH)Cr(NH3)(5)](5+) and [Cl3FeOFeCl3](2-)
期刊论文
journal of chemical physics, 2005
Wang, BW
;
Wei, HY
;
Wang, MW
;
Chen, ZD
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
DENSITY-FUNCTIONAL THEORY
GENERALIZED GRADIENT APPROXIMATION
EFFECTIVE CORE POTENTIALS
BROKEN-SYMMETRY APPROACH
PERTURBATION-THEORY
CORRELATION-ENERGY
MOLECULAR CALCULATIONS
POPULATION ANALYSIS
COUPLING-CONSTANTS
WAVE-FUNCTIONS
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
收藏
  |  
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
收藏
  |  
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
Enhancement in brightness and efficiency of organic electroluminescent device using novel N,N-di(9-ethylcarbaz-3-yl)-3-methylaniline as hole injecting and transporting material
期刊论文
合成金属, 2004
Liu, D
;
Zhen, CG
;
Wang, XS
;
Zou, DC
;
Zhang, BW
;
Cao, Y
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/12
organic light-emitting devices
N,N-di(9-ethylcarbazyl-3)-3-methylaniline
hole injecting and transporting
LIGHT-EMITTING-DIODES
ELECTRON-MOBILITY
MOLECULE
LAYER
Bonding in [CuNRR '](4) type clusters
期刊论文
中国科学b辑 化学英文版, 2004
Wang, BW
;
Xu, GX
;
Chen, ZD
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/16
inorganic fullerene-like molecule
chemical bonding
covalence
copper
CORRELATION-ENERGY
DENSITY
APPROXIMATION
RAPD and SCAR markers linked to sex determination in Eucommia ulmoides Oliv.
期刊论文
euphytica, 2004
Xu, WJ
;
Wang, BW
;
Cui, KM
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
Eucommia ulmoides
RAPD
SCAR
sex determination
AQUEOUS EXTRACT
TOCHU TEA
ANTIMUTAGENICITY
LEAVES
BANK
L.
Structure and photoelectrochemical properties of ruthenium(II) polypyridyl complexes as sensitizers for nanocrystalline TiO2 electrodes
期刊论文
solar energy materials and solar cells, 2003
Yao, QH
;
Huang, YY
;
Song, LQ
;
Zhang, BW
;
Huang, CH
;
Wang, ZS
;
Li, FY
;
Zhao, XS
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
photoelectric conversion
polypyridyl complex
sensitization
nanocrystalline TiO2
SOLAR-CELLS
CHARGE RECOMBINATION
LIGHT
DERIVATIVES
SEPARATION
INTERFACES
CONVERSION
TRANSPORT
FILMS
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