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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 [3]
长春应用化学研究所 [3]
宁波材料技术与工程研... [1]
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OAI收割 [7]
内容类型
期刊论文 [7]
发表日期
2020 [1]
2013 [2]
2010 [1]
2009 [2]
2008 [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:19/0
  |  
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: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
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: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
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
OAI收割
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
Solvent effect on quadratic hyperpolarizability of 4-(dimethylamino-4 '-stilbazole)tungsten pentacarbonyl: A revisit of mechanism for second-order response
期刊论文
OAI收割
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
Second-order nonlinear optical properties of transition metal clusters MoS4Cu4X2Py2 (M = Mo, W; X = Br, I)
期刊论文
OAI收割
Physical Chemistry Chemical Physics, 2009, 卷号: 11, 期号: 22, 页码: 4490-4497
Q. H. Li, K. C. Wu, Y. Q. Wei, R. J. Sa, Y. P. Cui, C. G. Lu, J. Zhu and J. G. He
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2012/11/06
density-functional theory
heteronuclear bimetallic complexes
ruthenium(ii) ammine complexes
correct asymptotic-behavior
order
regular approximation
hyper-rayleigh scattering
electron
molecular-system
quadratic hyperpolarizabilities
1st
hyperpolarizabilities
heterothiometallic clusters
Direct metal-metal interaction contributions to quadratic hyperpolarizability: A study on dirhenium complexes
期刊论文
OAI收割
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
收藏
  |  
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