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福建物质结构研究所 [6]
长春应用化学研究所 [4]
北京大学 [2]
宁波材料技术与工程研... [1]
武汉物理与数学研究所 [1]
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期刊论文 [14]
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2020 [1]
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浏览/检索结果:
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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
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:7/0
  |  
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
Hyper-Rayleigh scattering studies of a three-photon fluorescent non-linear optical molecule at 1500 nm
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 716, 页码: 252-256
作者:
Hu, Quanyuan
;
Wang, Huijuan
;
Liu, Bin
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  |  
浏览/下载:9/0
  |  
提交时间:2019/06/24
Theoretical Study on Second-order Nonlinear Optical Response of Lithiation Boron Nitride Nanotube
期刊论文
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
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  |  
浏览/下载:22/0
  |  
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
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:21/0
  |  
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
Toward highly efficient NLO chromophores: Synthesis and properties of heterocycle-based electronically gradient dipolar NLO chromophores
期刊论文
材料化学杂志, 2010
Ma, Xiaohua
;
Ma, Fei
;
Zhao, Zhenhua
;
Song, Naiheng
;
Zhang, Jianping
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  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
NONLINEAR-OPTICAL CHROMOPHORES
POLYMERIC ELECTROOPTIC MODULATORS
BOND-LENGTH ALTERNATION
PUSH-PULL POLYENES
MOLECULAR HYPERPOLARIZABILITIES
1ST HYPERPOLARIZABILITY
STRUCTURAL CHARACTERISTICS
SOLVENT DEPENDENCE
DONOR
ACCEPTOR
Mobius basket molecule: structure and properties
期刊论文
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:57/0
  |  
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
Push-pull electron effects of the complexant in a Li atom doped molecule with electride character: a new strategy to enhance the first hyperpolarizability
期刊论文
physical chemistry chemical physics, 2010, 卷号: 12, 期号: 35, 页码: 10562-10568
Liu ZB
;
Zhou ZJ
;
Li Y
;
Li ZR
;
Wang R
;
Li QZ
;
Li Y
;
Jia FY
;
Wang YF
;
Li ZJ
;
Cheng JB
;
Sun CC
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2012/04/26
NONLINEAR-OPTICAL PROPERTIES
HYPER-RAYLEIGH SCATTERING
DONOR-ACCEPTOR POLYENES
AB-INITIO
STATIC 1ST
2ND HYPERPOLARIZABILITIES
NLO RESPONSES
DIPOLE-MOMENT
2ND-ORDER
ALKALIDES
Hyperpolarizabilities of Chelidamic Acid Complexes M-m(C7H3O5N)(n) (M=Cu, Ag): Theoretical Analysis
期刊论文
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:59/0
  |  
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
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:59/0
  |  
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
Solvent effect on quadratic hyperpolarizability of 4-(dimethylamino-4 '-stilbazole)tungsten pentacarbonyl: A revisit of mechanism for second-order response
期刊论文
Chemical Physics Letters, 2009, 卷号: 471, 期号: 4-6, 页码: 229-233
Q. H. Li, K. C. Wu, R. J. Sa and Y. Q. Wei
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2012/11/06
nonlinear-optical properties
exchange-correlation potentials
correct
asymptotic-behavior
transition-metal-complexes
density-functional
theory
1st hyperpolarizabilities
chromophores
charge
approximation
conformation
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