中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
福建物质结构研究所 [4]
长春应用化学研究所 [3]
宁波材料技术与工程研... [1]
采集方式
OAI收割 [8]
内容类型
期刊论文 [8]
发表日期
2020 [1]
2013 [2]
2010 [1]
2009 [3]
2007 [1]
学科主题
Chemistry [1]
Physics [1]
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Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Property and Molecular Nonlinearity
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5563-5569
作者:
Liu, Zeyu
;
Tian, Ziqi
;
Lu, Tian
;
Hua, Shugui
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/12/16
DENSITY-FUNCTIONAL THEORY
ZETA VALENCE QUALITY
GAUSSIAN-BASIS SETS
1ST HYPERPOLARIZABILITY
EXCITATION-ENERGIES
OPTICAL PROPERTIES
APPROXIMATION
ABSORPTION
PARAMETERS
CRYSTAL
Theoretical Study on Second-order Nonlinear Optical Response of Lithiation Boron Nitride Nanotube
期刊论文
OAI收割
chemical journal of chinese universities-chinese, 2013, 卷号: 34, 期号: 9, 页码: 2152-2157
Zhou ZJ
;
Li XP
;
Huang XR
;
Wu ZJ
;
Li ZR
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2014/04/15
STATIC 1ST HYPERPOLARIZABILITY
DENSITY-FUNCTIONAL THEORY
GRAPHENE NANORIBBON
ATOMIC-NUMBER
DIPOLE-MOMENT
ALKALI-METAL
SYSTEMS
LI
DEPENDENCE
MOLECULES
The structure and large nonlinear optical properties of a novel octupolar electride Li@3(6)Adz
期刊论文
OAI收割
computational and theoretical chemistry, 2013, 卷号: 1023, 页码: 99-103
Zhou ZJ
;
Li H
;
Huang XR
;
Wu ZJ
;
Ma F
;
Li ZR
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2014/04/15
SUBSTITUTED CONJUGATED MOLECULES
BOND-LENGTH ALTERNATION
METAL-COMPLEXES
COORDINATION NETWORKS
1ST HYPERPOLARIZABILITIES
2ND-ORDER
ALKALIDES
LI
NA
1ST-HYPERPOLARIZABILITY
Mobius basket molecule: structure and properties
期刊论文
OAI收割
physical chemistry chemical physics, 2010, 卷号: 12, 期号: 31, 页码: 8847-8855
Wang YF
;
Li Z
;
Li Y
;
Li ZR
;
Li ZJ
;
Wu D
;
Ma F
;
Sun CC
收藏
  |  
浏览/下载:66/0
  |  
提交时间:2012/04/26
NONLINEAR-OPTICAL PROPERTIES
DENSITY-FUNCTIONAL SCHEMES
1ST HYPERPOLARIZABILITY
ABSOLUTE HARDNESS
DIPOLE-MOMENT
2ND HYPERPOLARIZABILITY
AROMATIC-HYDROCARBON
ELECTRON-AFFINITIES
STRIP POLYACENES
RU/OS COMPLEXES
Hyperpolarizabilities of Chelidamic Acid Complexes M-m(C7H3O5N)(n) (M=Cu, Ag): Theoretical Analysis
期刊论文
OAI收割
Chinese Journal of Chemistry, 2009, 卷号: 27, 期号: 11, 页码: 2113-2120
X. Zhang, G. W. Zhou, K. Tan, G. C. Guo, M. H. Lin and Q. E. Zhang
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2012/11/06
nonlinear optics
hyperpolarizability
chelidamic acid
charge transfer
nonlinear-optical-properties
density-functional theory
1st
hyperpolarizability
excitation-energies
metal-complexes
approximation
derivatives
spectra
system
dft
Hyperpolarizabilities of Chelidamic Acid Complexes M-m(C7H3O5N)(n) (M=Cu, Ag): Theoretical Analysis
期刊论文
OAI收割
Chinese Journal of Chemistry, 2009, 卷号: 27, 期号: 11, 页码: 2113-2120
X. Zhang, G. W. Zhou, K. Tan, G. C. Guo, M. H. Lin and Q. E. Zhang
收藏
  |  
浏览/下载:61/0
  |  
提交时间:2012/11/06
nonlinear optics
hyperpolarizability
chelidamic acid
charge transfer
nonlinear-optical-properties
density-functional theory
1st
hyperpolarizability
excitation-energies
metal-complexes
approximation
derivatives
spectra
system
dft
Relative stability and optical nonlinearity of multiple conformers of 1,1'-substituted ferrocenes
期刊论文
OAI收割
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
收藏
  |  
浏览/下载:22/0
  |  
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
Theoretical studies on vibrational spectra and nonlinear optical property of L-arginine phosphate monohydrate crystal
期刊论文
OAI收割
Optical Materials, 2007, 卷号: 29, 期号: 9, 页码: 1129-1137
K. C. Wu
;
C. P. Liu
;
C. Y. Mang
收藏
  |  
浏览/下载:72/0
  |  
提交时间:2013/04/01
static 1st hyperpolarizability
charge-transfer
dipole-moment
growth
lap
polymethineimine
polarizability
complexes