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期刊论文 [19]
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Forcing and anti-forcing polynomials of perfect matchings for some rectangle grids.
期刊论文
Journal of Mathematical Chemistry, 2019, 卷号: Vol.57 No.1, 页码: 202-225
作者:
Zhao, Shuang
;
Zhang, Heping
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2019/12/17
POLYNOMIALS
*SUBGRAPHS
*PATHS
&
cycles
(Graph
theory)
*SPECTRAL
theory
*DIMERS
Bonding of Two 8‐Electron Superatom Clusters.
期刊论文
Angewandte Chemie International Edition, 2018, 卷号: Vol.57 No.51, 页码: 16768-16772
作者:
Jin, Shan
;
Wang, Shuxin
;
Pei, Yong
;
Xiong, Lin
;
Du, Wenjun
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  |  
浏览/下载:1/0
  |  
提交时间:2019/04/24
ATOMIC
clusters
*CRYSTALLOGRAPHY
*DENSITY
functional
theory
*DIMERS
*MOLECULAR
clusters
Effects of alkyl chain number and position on 2D self-assemblies (EI收录)
期刊论文
RSC Advances, 2017, 卷号: 7, 页码: 32391-32398
作者:
Hu, Yi[1]
;
Miao, Kai[1]
;
Xu, Li[1]
;
Zha, Bao[1]
;
Miao, Xinrui[1]
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/04/24
Aromatic compounds
Density functional theory
Dimers
Fatty acids
Hydrogen bonds
Ketones
Supramolecular chemistry
Van der Waals forces
Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine sheet
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015
Zhou, Jian
;
Wang, Qian
;
Sun, Qiang
;
Kawazoe, Yoshiyuki
;
Jena, Puru
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
AUGMENTED-WAVE METHOD
MAGNETIC-ANISOTROPY
1ST-PRINCIPLES THEORY
SPIN-CROSSOVER
GRAPHENE
COMPLEX
DIMERS
CO2 Electroreduction Performance of Transition Metal Dimers Supported on Graphene: A Theoretical Study
期刊论文
ACS Catalysis, 2015
Li, Yawei
;
Su, Haibin
;
Chan, Siew Hwa
;
Sun, Qiang
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2017/12/03
CO2 reduction
graphene-supported metal dimers
density functional theory
microkinetics modeling electrocatalysis
AQUEOUS HYDROGENCARBONATE SOLUTION
DENSITY-FUNCTIONAL THEORY
ELECTROCHEMICAL REDUCTION
CARBON-DIOXIDE
ELECTROCATALYTIC REDUCTION
HYDROGEN-EVOLUTION
COPPER ELECTRODES
AU NANOPARTICLES
OXYGEN REDUCTION
CU NANOPARTICLES
Theoretical study on thermodynamic and spectroscopic properties of electro-oxidation of p-aminothiophenol on gold electrode surfaces
期刊论文
http://dx.doi.org/10.1021/jp507987x, 2014
Zhao, Liu-Bin
;
Zhang, Meng
;
Ren, Bin
;
Tian, Zhong-Qun
;
Wu, De-Yin
;
任斌
;
田中群
;
吴德印
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
Chemical bonds
Density functional theory
Dimers
Electrooxidation
Gold
Oxidation
Positive ions
Resonance
Dimer coverings on random multiple chains of planar honeycomb lattices
期刊论文
2012
Ren, Haizhen
;
Zhang, Fuji
;
Qian, Jianguo
;
钱建国
;
张福基
;
任海珍
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2013/02/28
dimers (theory)
random graphs
networks
Theoretical studies of vibrationally resolved absorption and emission spectra: From a single chromophore to multichromophoric oligomers/aggregates
期刊论文
http://dx.doi.org/10.1007/s11426-010-0075-2, 2010
Gao Fang
;
Liang WanZhen
;
Zhao Yi
;
赵仪
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2013/12/12
DENSITY-FUNCTIONAL THEORY
EXCITATION-ENERGY TRANSFER
MOLECULAR-BEAM DEPOSITION
TRANSFER EXCITED-STATES
RARE-GAS DIMERS
CHARGE-TRANSFER
AB-INITIO
CONJUGATED POLYMERS
PERYLENE BISIMIDE
ELECTRON-TRANSFER
Action at Hooked or Twisted-Hooked DNA Juxtapositions Rationalizes Unlinking Preference of Type-2 Topoisomerases
期刊论文
分子生物学杂志, 2010
Liu, Zhirong
;
Zechiedrich, Lynn
;
Chan, Hue Sun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
DNA supercoils
writhe
torsional energy
self-avoiding lattice polygons
Madras-Orlitsky-Shepp algorithm
INTERTWINED CATENATED DIMERS
SELF-AVOIDING WALKS
LATTICE MONTE-CARLO
ESCHERICHIA-COLI
II TOPOISOMERASES
THERMODYNAMIC PROPERTIES
TOPOLOGY SIMPLIFICATION
STATISTICAL-THEORY
SUPERCOILED DNA
WRITHING NUMBER
Density functional theory study of the magnetic properties of rare earth complexes: the magnetic coupling mechanism in Y-III and Gd-III complexes with nitronyl nitroxide
期刊论文
中国科学b辑 化学英文版, 2009
Ren Jie
;
Wang BingWu
;
Chen ZhiDa
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
magnetic coupling
density functional theory
rare earth ion
gadolinium(III) complexes
yttrium(III) complexes
BROKEN-SYMMETRY APPROACH
SPIN-DENSITY
MU-HYDROXO
DERIVATIVES
RADICALS
BEHAVIOR
LIGANDS
DIMERS
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