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科研机构
福建物质结构研究所 [5]
内容类型
期刊论文 [5]
发表日期
2011 [1]
2009 [1]
2008 [2]
2007 [1]
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First Hyperpolarizability Evolutions of Some Extended Sesquifulvalene Compounds
期刊论文
Chinese Journal of Chemistry, 2011, 卷号: 29, 期号: 7, 页码: 1366-1372
C. Y. Mang
;
C. P. Liu
;
Z. Y. Yang
;
L. Peng
;
K. C. Wu
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  |  
浏览/下载:23/0
  |  
提交时间:2012/06/06
sesquifulvalene
sandwich complexes
nonlinear optics
hyperpolarizability
density functional calculations
nonlinear-optical-properties
2nd-harmonic generation
complexes
density
derivatives
Relative stability and optical nonlinearity of multiple conformers of 1,1'-substituted ferrocenes
期刊论文
Molecular Physics, 2009, 卷号: 107, 期号: 13, 页码: 1323-1329
C. Y. Mang, C. P. Liu, J. Q. Zi, J. Zhou, X. Zhao and K. C. Wu
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  |  
浏览/下载:16/0
  |  
提交时间:2012/11/06
ferrocene
hyperpolarizability
ab initio calculation
pi-pi interaction
hybrid supramolecular arrays
sesquifulvalene complexes
1st
hyperpolarizabilities
2nd hyperpolarizability
crystal-structures
chromophores
dipyridines
acids
dft
Direct metal-metal interaction contributions to quadratic hyperpolarizability: A study on dirhenium complexes
期刊论文
Journal of Physical Chemistry A, 2008, 卷号: 112, 期号: 22, 页码: 4965-4972
Q. H. Li
;
R. J. Sa
;
Y. Q. Wei and K. C. Wu
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  |  
浏览/下载:19/0
  |  
提交时间:2013/01/22
nonlinear-optical-properties
correct asymptotic-behavior
order regular
approximation
density-functional theory
electron-acceptor groups
mixed-valence complexes
fe-ii complexes
transition-metal
sesquifulvalene complexes
1st hyperpolarizabilities
TDDFT study of the nonlinear optical properties of the rich d-electron molecular system - iridium/rhodium cluster: the effect of phosphaferrocene
期刊论文
Molecular Physics, 2008, 卷号: 106, 期号: 15, 页码: 1853-1866
F. J. Li and K. C. Wu
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  |  
浏览/下载:9/0
  |  
提交时间:2013/01/22
TDDFT
phosphaferrocene
nonlinear optical
orbital decomposition scheme
density-functional schemes
transition-metal clusters
c-h activation
1st hyperpolarizabilities
complexes
chromophores
fe(eta(5)-c5h5)(eta(5)-p(3)c(2)bu(2)(t))
sesquifulvalene
metallocenes
derivatives
First hyperpolarizabilities of transition metal sesquifulvalene complexes
期刊论文
Journal of Molecular Structure-Theochem, 2007, 卷号: 808, 期号: 1-3, 页码: 145-152
C. Y. Mang
;
B. S. Huang
;
C. P. Liu
;
K. C. Wu
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  |  
浏览/下载:15/0
  |  
提交时间:2013/04/01
sesquifulvalene
metallocene
hyperpolarizability
nonlinear optics
density functional calculations
ferrocene
nonlinear-optical-properties
density-functional theory
approximation
coordination
derivatives
molecules
donor
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