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科研机构
北京大学 [3]
厦门大学 [2]
福建物质结构研究所 [2]
长春应用化学研究所 [2]
内容类型
期刊论文 [8]
学位论文 [1]
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2012 [2]
2010 [2]
2009 [1]
2008 [1]
2002 [1]
1981 [2]
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XYG3 and XYGJ-OS performances for noncovalent binding energies relevant to biomolecular structures
期刊论文
http://dx.doi.org/10.1039/c2cp40904f, 2012
Zhang, Igor Ying
;
Xu, Xin
;
徐昕
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浏览/下载:7/0
  |  
提交时间:2015/07/22
DENSITY-FUNCTIONAL THEORY
GAUSSIAN-BASIS SETS
CORRELATED MOLECULAR CALCULATIONS
ZETA VALENCE QUALITY
FORCE-FIELD MODELS
ACID BASE-PAIRS
THERMOCHEMICAL KINETICS
NONBONDED INTERACTIONS
BENZENE DIMER
STABILIZATION ENERGIES
几类π相互作用的理论研究
学位论文
2012, 2012
周余伟
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  |  
浏览/下载:6/0
  |  
提交时间:2016/02/14
π相互作用
密度泛函理论
分子力场方法
苯-苯二聚体
芳香性π分子
π Interactions
density functional methods
force field models
benzene dimer
aromatic π molecules
pi-pi INTERACTION IN BENZENE DIMER STUDIED USING DENSITY FUNCTIONAL THEORY AUGMENTED WITH AN EMPIRICAL DISPERSION TERM
期刊论文
Journal of Theoretical & Computational Chemistry, 2010, 卷号: 9, 页码: 109-123
C. Feng, C. S. Lin, X. H. Zhang and R. Q. Zhang
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浏览/下载:36/0
  |  
提交时间:2012/11/02
pi-pi interaction
density functional theory (DFT)
dispersion force
benzene dimer
van-der-waals
potential-energy surface
aromatic-aromatic interactions
stacking interactions
ccsd(t) calculations
molecular clusters
coupled-cluster
systems
complexes
model
Mn-II-based MIL-53 Analogues: Synthesis Using Neutral Bridging mu(2)-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics
期刊论文
journal of the american chemical society, 2010, 卷号: 132, 期号: 11, 页码: 3656-3657
Xu GH
;
Zhang XG
;
Guo P
;
Pan CL
;
Zhang HJ
;
Wang C
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  |  
浏览/下载:9/0
  |  
提交时间:2012/06/07
METAL-ORGANIC FRAMEWORKS
ALUMINUM TEREPHTHALATE MIL-53
SELECTIVE ADSORPTION
XYLENE ISOMERS
BENZENE DIMER
BENZENEDICARBOXYLATE
ETHYLBENZENE
MOLECULES
SORPTION
REDOX
Stacking of polycyclic aromatic hydrocarbons as prototype for graphene multilayers, studied using density functional theory augmented with a dispersion term
期刊论文
Journal of Chemical Physics, 2009, 卷号: 131, 期号: 19
C. Feng, C. S. Lin, W. Fan, R. Q. Zhang and M. A. Van Hove
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浏览/下载:14/0
  |  
提交时间:2012/11/06
binding energy
density functional theory
energy gap
graphene
multilayers
photoluminescence
pi-pi interactions
potential-energy surface
benzene dimer
ab-initio
intermolecular interactions
electronic-properties
crystal-structure
bilayer graphene
graphite
simulation
Sensitive, Label-Free Protein Assay Using 1-ethyl-3-methylimidazolium Tetrafluoroborate Supported Microchip Electrophoresis with Laser-Induced Fluorescence Detection
期刊论文
electrophoresis, 2008, 卷号: 29, 期号: 9, 页码: 1852-1858
Xu YH
;
Li J
;
Wang EK
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浏览/下载:189/51
  |  
提交时间:2010/04/14
INDUCED FLUORESCENCE DETECTION
TOTAL ANALYSIS SYSTEMS
POLY(DIMETHYLSILOXANE) MICROFLUIDIC DEVICES
DODECYL BENZENE SULFONATE
ACRIDINE-ORANGE DIMER
BETA-D-MALTOSIDE
CAPILLARY-ELECTROPHORESIS
IONIC LIQUIDS
SURFACE MODIFICATION
ADSORPTION
Controllable supramolecular assembly by pi-pi interactions: Cobalt(II) and copper(II) complexes with benzimidazole derivatives
期刊论文
organometallics, 2002
Sun, WH
;
Shao, CX
;
Chen, Y
;
Hu, HM
;
Sheldon, RA
;
Wang, HG
;
Leng, XB
;
Jin, XL
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浏览/下载:6/0
  |  
提交时间:2015/11/11
AROMATIC-AROMATIC INTERACTIONS
X-RAY STRUCTURES
MOLECULAR-STRUCTURE
BENZENE DIMER
DIBROMOBIS(BENZIMIDAZOLE)COPPER(II)
CRYSTAL
SYNTHESIS AND CHARACTERIZATION OF RHODIUM (Ⅰ) CARBONYL DERIVATIVES WITH NITROGEN DONOR LIGANDS
期刊论文
A Monthly Journal of Science, 1981
孙亦桢
;
王力
;
钟卫民
;
齐菊生
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  |  
浏览/下载:1/0
  |  
提交时间:2017/12/04
carbonyl
coordinated
donor
planar
benzene
ambient
reagent
dimer
melting
inert
SYNTHESIS AND STRUCTURE OF CHLORODICARBONYL(O-AMINOBENZOIC ACID)-RHODIUM(Ⅰ) AND ITS CATALYTIC PROPERTIES ON PROPENE HYDROFORMYLATION
期刊论文
Science in China,Ser.A, 1981
孙亦桢
;
齐菊生
;
范海福
;
千金子
;
许章保
;
杨旭清
;
符传桂
;
刘德弘
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2017/12/04
benzene
selectivity
coordinated
aldehyde
dimer
bonds
RHODIUM
coordinates
planar
benzoic
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