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科研机构
北京大学 [6]
内容类型
期刊论文 [6]
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2016 [1]
2013 [1]
2005 [1]
2004 [1]
2002 [1]
2001 [1]
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专题:北京大学
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Actinide-embedded gold superatom models: Electronic structure, spectroscopic properties, and applications in surface-enhanced Raman scattering
期刊论文
NANO RESEARCH, 2016
Gao, Yang
;
Wang, Bo
;
Lei, Yanyu
;
Teo, Boon K.
;
Wang, Zhigang
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2017/12/03
actinide element
DFT calculation
gold nanoparticle
superatomic orbital
surface-enhanced Raman scattering
ORDER REGULAR APPROXIMATION
DENSITY-FUNCTIONAL THEORY
STATISTICAL AVERAGE
ABSORPTION-SPECTRA
METAL-CLUSTERS
ELEMENTS 1-118
BASIS-SETS
AU-AG
COMPLEXES
MOLECULES
3d-4f Magnetic Interaction with Density Functional Theory Plus U Approach: Local Coulomb Correlation and Exchange Pathways
期刊论文
journal of physical chemistry a, 2013
Zhang, Yachao
;
Yang, Yang
;
Jiang, Hong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
TRANSITION-METAL-COMPLEXES
TOTAL-ENERGY CALCULATIONS
SINGLE-MOLECULE-MAGNET
AB-INITIO CALCULATIONS
AUGMENTED-WAVE METHOD
COUPLING-CONSTANTS
ELECTRONIC-STRUCTURE
LDA+U METHOD
PBE0 MODEL
HUBBARD-U
Syntheses, crystal structures, and spectroscopic and magnetic properties of [Mn-2(III)(H2L1)(Cl(4)Cat)(4)center dot 2H(2)O](infinity) and [Mn-2(III)(H2L2)(Cl(4)Cat)(4)center dot 2CH(3)CN center dot 2H(2)O](infinity): Temperature-dependent valence
期刊论文
inorganic chemistry, 2005
Shaikh, N
;
Goswami, S
;
Panja, A
;
Sun, HL
;
Pan, F
;
Gao, S
;
Banerjee, P
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  |  
浏览/下载:2/0
  |  
提交时间:2015/11/12
TRANSITION-METAL COMPLEXES
CHARGE-TRANSFER COMPLEXES
ORGANIC FERROMAGNETS
QUINONE COMPLEXES
CATECHOLATE
INTERCONVERSION
SEMIQUINONE
LIGAND
MANGANESE
MN(III)
New route to the mixed valence semiquinone-catecholate based mononuclear Fe-III and catecholate based dinuclear Mn-III complexes: First experimental evidence of valence tautomerism in an iron complex
期刊论文
inorganic chemistry, 2004
Shaikh, N
;
Goswami, S
;
Panja, A
;
Wang, XY
;
Gao, S
;
Butcher, RJ
;
Banerjee, P
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/12
TRANSITION-METAL-COMPLEXES
QUINONE COMPLEXES
ELECTRON-TRANSFER
CHARGE-DISTRIBUTION
REDOX ISOMERISM
LIGANDS
SERIES
MANGANESE
INTERCONVERSION
BENZOQUINONE
Synthesis and characterization of a novel ring-like decamolybdate
期刊论文
journal of the chemical society dalton transactions, 2002
Liu, G
;
Zhang, SW
;
Tang, YQ
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/11
CRYSTAL-STRUCTURE
MOLYBDENUM-OXIDE
METAL-OXIDE
COMPLEXES
CLUSTER
COORDINATION
WHEEL
HETEROPOLYANION
OCTAMOLYBDATE
CHEMISTRY
Lanthanide coordination with alpha-amino acids under near physiological pH conditions: Polymetallic complexes containing the cubane-like [Ln(4)(mu(3)-OH)(4)](8+) cluster core
期刊论文
inorganic chemistry, 2001
Wang, RY
;
Liu, H
;
Carducci, MD
;
Jin, TZ
;
Zheng, C
;
Zheng, ZP
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  |  
浏览/下载:3/0
  |  
提交时间:2015/11/12
VALENCE MANGANESE CARBOXYLATE
PHOSPHATE DIESTER CLEAVAGE
MAGNETIC-PROPERTIES
CRYSTAL-STRUCTURE
RAPID CLEAVAGE
DICUBANE-TYPE
CHEMISTRY
LIGANDS
HYDROLYSIS
IONS
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