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科研机构
福建物质结构研究所 [11]
内容类型
期刊论文 [11]
发表日期
2009 [3]
2008 [3]
2007 [5]
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专题:福建物质结构研究所
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Effect of Cage Charges on Multiphoton Absorptions: First-Principles Study on Metallofullerenes Sc2C2@C-68 and Sc3N@C-68
期刊论文
Journal of Physical Chemistry A, 2009, 卷号: 113, 期号: 20, 页码: 5966-5971
W. D. Cheng, H. Hu, D. S. Wu, J. Y. Wang, S. P. Huang, Z. Xe and H. Zhang
收藏
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浏览/下载:13/0
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提交时间:2012/11/06
nonlinear-optical response
density-functional theory
pi-conjugated
dendrimers
3-photon absorption
2-photon absorption
excited-state
in-vivo
cooperative enhancement
ab-initio
chromophores
Structure determination, electronic and optical properties of NaGe2P3O12 and Cs2GeP4O13
期刊论文
Journal of Molecular Structure, 2009, 卷号: 922, 期号: 1-3, 页码: 127-134
D. Zhao, Z. Xie, J. M. Hu, H. Zhang, W. L. Zhang, S. L. Yang and W. D. Cheng
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浏览/下载:10/0
  |  
提交时间:2012/11/06
Solid-state synthesis
X-ray diffraction
Crystal structure
Electronic
structure
crystal-structure
thermal-expansion
magnetic-properties
temperature
Structure determination, electronic and optical properties of NaGe2P3O12 and Cs2GeP4O13
期刊论文
Journal of Molecular Structure, 2009, 卷号: 922, 期号: 1-3, 页码: 127-134
D. Zhao, Z. Xie, J. M. Hu, H. Zhang, W. L. Zhang, S. L. Yang and W. D. Cheng
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浏览/下载:10/0
  |  
提交时间:2012/11/06
Solid-state synthesis
X-ray diffraction
Crystal structure
Electronic
structure
crystal-structure
thermal-expansion
magnetic-properties
temperature
A periodic density functional theory study on the effects of halides encapsulated in SiC nanotubes
期刊论文
Journal of Chemical Physics, 2008, 卷号: 129, 期号: 17
S. P. Huang
;
W. D. Cheng
;
J. M. Hu
;
Z. Xie
;
H. Hu and H. Zhang
收藏
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浏览/下载:14/0
  |  
提交时间:2013/01/22
density functional theory
energy gap
intercalation compounds
nanotubes
potassium compounds
silicon compounds
silver compounds
walled carbon nanotubes
silicon-carbide nanotubes
boron-nitride
nanotubes
optical-properties
bn nanotubes
electronic-structure
metal
nanowires
crystals
1st-principles
nanorods
SIZE EFFECT OF ENCASED ATOM ON ABSORPTION AND NONLINEAR OPTICAL PROPERTIES OF EMBEDDED METALLOFULLERENES M@C-82 (M = Sc, Y, La)
期刊论文
Journal of Theoretical & Computational Chemistry, 2008, 卷号: 7, 期号: 4, 页码: 737-749
H. Hu
;
W. D. Cheng
;
S. P. Huang
;
Z. Xie and H. Zhang
收藏
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浏览/下载:11/0
  |  
提交时间:2013/01/22
Metallofullerenes
density functional theory
third-order
polarizabilities
non-linear optic
two-photon absorption
endohedral metallofullerenes
excitation-energies
diffraction
sc-at-c-82
molecules
states
First principle study of ferromagnetism in Cr-doped In2O3
期刊论文
Chinese Journal of Structural Chemistry, 2008, 卷号: 27, 期号: 8, 页码: 907-914
Z. Xie
;
W. D. Cheng
;
D. S. Wu
;
S. P. Huang
;
J. M. Hu
;
H. Zhang and H. Hu
收藏
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浏览/下载:14/0
  |  
提交时间:2013/01/22
DMS
ferromagnetism
curie temperature
In2O3
first-principle
DFT
diluted magnetic semiconductors
ab-initio
oxides
gaas
zno
First-principles study of the elastic and optical properties of the pseudocubic Si(3)As(4), Ge(3)As(4) and Sn(3)As(4)
期刊论文
Journal of Physics-Condensed Matter, 2007, 卷号: 19, 期号: 49
J. M. Hu
;
S. P. Huang
;
Z. Xie
;
H. Hu
;
W. D. Cheng
收藏
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浏览/下载:27/0
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提交时间:2013/04/01
high-pressure
high-temperature
structural-properties
nitride spinels
gamma-ge3n4
gamma-si3n4
beta-si3n4
solids
phase
si3n4
First-principles determinations and investigations of the electronic absorption and third-order polarizability spectra of electron donor-acceptor chromophores tetraalkylammonium halide/carbon tetrabromide
期刊论文
Journal of Physical Chemistry A, 2007, 卷号: 111, 期号: 38, 页码: 9249-9254
J. Shen
;
W. D. Cheng
;
D. S. Wu
;
S. P. Huang
;
H. Hu
;
Z. Xie
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2013/04/01
nonlinear-optical-properties
density-functional theory
2-photon
absorption
excitation-energies
carbon tetrabromide
implementation
approximation
complexes
strengths
halide
First-principles study: size-dependent optical properties for semiconducting silicon carbide nanotubes
期刊论文
Optics Express, 2007, 卷号: 15, 期号: 17, 页码: 10947-10957
S. P. Huang
;
D. S. Wu
;
J. M. Hu
;
H. Zhang
;
Z. Xie
;
H. Hu
;
W. D. Cheng
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2013/04/01
boron-nitride nanotubes
carbon nanotubes
electronic-structure
ab-initio
pseudopotentials
wave
Synthesis and crystal structure of a model for the active sites of Fe-only hydrogenases: Fe-2(SCH2)(2)N(3-PhCF3)CO)(6) (2)
期刊论文
Chinese Journal of Structural Chemistry, 2007, 卷号: 26, 期号: 1, 页码: 113-117
L. X. Cheng
;
C. B. Ma
;
M. Q. Hu
;
C. N. Chen
;
Q. T. Liu
收藏
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浏览/下载:14/0
  |  
提交时间:2013/04/01
Fe-only hydrogenases
crystal structure
iron-sulfur cluster
reduction
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