云南高校图书馆联盟文献共享服务平台- HYPERPOLARIZABILITY

HYPERPOLARIZABILITY: 作品数：25被引量：5H指数：1; 导出分析报告; 相关领域：理学更多>>; 相关作者：王新琴刘凯王彦华曾群杨明理更多>>; 相关机构：临沂大学四川大学更多>>; 相关期刊：《Advances in Materials Physics and Chemistry》《Chinese Journal of Chemistry》《Chinese Journal of Chemical Engineering》《Science China(Physics,Mechanics & Astronomy)》更多>>; 相关基金：国家自然科学基金国家重点基础研究发展计划国家高技术研究发展计划Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry更多>>

Third-Order Nonlinear Optical Responses of Bis(15-crown-5)-stilbenes Binding to One-or Two-Alkali Metal Cation(Li^(+),Na^(+)and K^(+)): 《Chinese Journal of Chemical Physics》2023年第5期601-612,I0002,共13页Hai-Ling Yu Tong Zhang Tian-Liang Ma Bo Hong Zhi-Qiang Cheng; surported by the Jilin Province Science and Technology Development Project(No.20220203017SF);Industrialization Project of the 13th Five-Year"Education Department of Jilin Province(No.JJKH20200334KJ);the National Natural Sci-ence Foundation of China(No.11704143).; Bis(15-crown-5)-stilbenes containing crown ether parts have been widely used in a variety of chemical applications,such as cation detectors,because of their ability to selectively bind to alkali metal cations,Bis(15-c...; 关键词：Bis(crown)-stilbene Cation detector Metal cation Quantum chemistry Sec-ond hyperpolarizability

Systematic study of the structure-property relationship of a series of near-infrared absorbing push-pull heptamethine chromophores for electro-optics: 《Science China Chemistry》2021年第2期263-273,共11页Di Zhang Jie Zou Wen Wang Qian Yu Guowei Deng Jieyun Wu Zhong-An Li Jingdong Luo; the Fundamental Research Project funding from Shenzhen Science&Technology Innovation Committee(JCYJ20180507181718203);the National Natural Science Foundation of China(21975213);the Research Grants Council(RGC)of Hong Kong(11306320);internal research supports or initiatives from City University of Hong Kong(9610389,9680263,9610454)。; This study reports the facile synthesis,characterization and quantitative structure-property relationship analysis of molecular and material properties of tricyanofuran-based(TCF)dipolar heptamethines with different e...; 关键词：ELECTRO-OPTICS Pockels coefficient HYPERPOLARIZABILITY dipolar chromophores organic nonlinear optics

Influences of adsorptions of some inorganic molecules on electronic, optical, and thermodynamic properties of Mg_(12)O_(12) nanocage: A computational approach被引量：1: 《Chinese Physics B》2018年第8期280-289,共10页Asghar Mohammadi Hesari Hamid Reza Shamlouei; According to density functional theory, we investigate the effects of BF3, BF4, BCI3, A1F3, AICI3, A1Br3, 13eF3, GaF3, GaC13, GaBr3, NO3, BS2, BSO, BO2, F2, PFs, PC15, and ASF5 molecules on the geometric, electronic, ...; 关键词：Mg1201 POLARIZABILITY HYPERPOLARIZABILITY binding energy NANOCAGE DFT calculation

Combined Experimental and Computational Investigation of 2-(2-Hydroxyphenylimino)Phenolic Derivatives:Synthesis,Molecular Structure and NLO Studies: 《International Journal of Organic Chemistry》2017年第2期185-217,共33页V.Duraisamy Nadhiya Rathinam Kumaresan; A series of substituted 2-(2-hydroxyphenylimino) phenolic (salen) derivatives (1-4) have been synthesized and their structures of obtained compound were characterized by analytical, FT-IR, UV-Vis and 13C{1H}-NMR exper...; 关键词：SALEN PES HOMO-LUMO MEP △E_(gap) HYPERPOLARIZABILITY

NLO response of derivatives of benzene, stilbene and diphenylacetylene：MP2 and DFT calculations被引量：1: 《Chinese Journal of Chemical Engineering》2017年第6期800-808,共9页A.M. Elhorri M. Zouaoui-Rabah; MP2 method and different functionals such as M06-HF, M06-2X, CAM-B3 LYP, PBE0, B3 LYP and M06 L incorporating different XC amounts were used to calculate the static first hyperpolarizabilies β(0) of eight molecules w...; 关键词：First HYPERPOLARIZABILITY DFT TD-DFT Push-pull molecules NBOCharge transfer

Orientation Angle of Molecules at Hexadecane-Water Interface Studied with Total Internal Reflection Second Harmonic Generation: 《Chinese Journal of Chemical Physics》2016年第6期650-656,I0001,共8页Li-bo Zhang Hui Fang Shun-li Chen Xue-feng Zhu Wei Gan; The orientation angle is an important parameter that reflects the structure of molecules at interfaces. In order to obtain this parameter, second order nonlinear spectroscopic techniques including second harmonic gene...; 关键词：Second harmonic generation Total internal reflection HYPERPOLARIZABILITY Polarization Orientation angle

Influence of alkali metal superoxides on structure,electronic,and optical properties of Be_(12)O_(12) nanocage:Density functional theory study: 《Chinese Physics B》2016年第9期381-387,共7页Ali Raoof Toosi Hamid Reza Shamlouei Asghar Mohammadi Hesari; The effect of alkali metal superoxides M_3O（M = Li,Na,K） on the electronic and optical properties of a Be_（12）O_（12） nanocage was studied by density functional theory（DFT） and time-dependent density functional...; 关键词：Be_（12）O_（12） alkali metal superoxides hyperpolarizability DFT calculation

Hyperpolarizabilities of alkaline-earth metal ions Be^+, Mg^+, and Ca^+: 《Science China(Physics,Mechanics & Astronomy)》2016年第9期33-38,共6页Dong Yin Yong-Hui Zhang Cheng-Bin Li Ke-Lin Gao Ting-Yun Shi; supported by the National Natural Science Foundation of China (Grant No. 91536102);the National Basic Research Program of China (Grant No. 2012CB821305); The knowledge of the hyperpolarizabilities of atoms and ions is helpful for the analysis of the high order effects of the frequency shifts in precision spectroscopy experiments. Liu et al. [Phys. Rev. Lett. 114, 2230...; 关键词：HYPERPOLARIZABILITY alkaline-earth metal ion finite field method

Molecular Structure, Vibrational Assignments and Non-Linear Optical Properties of 4,4’ Dimethylaminocyanobiphenyl (DMACB) by DFT and <i>ab Initio</i>HF Calculations: 《Advances in Materials Physics and Chemistry》2015年第7期221-228,共8页Charef Tabti Nadia Benhalima; In the present study, structural properties of 4,4’ dimethylaminocyanobiphenyl (DMACB) have been studied extensively by using ab initio Hartree Fock (HF) and density functional theory (DFT) employing B3LYP/B3PW91 exc...; 关键词：Ab INITIO 4 4’ Dimethylaminocyanobiphenyl (DMACB) Dipole Moment POLARIZABILITY HYPERPOLARIZABILITY Non-Linear Optics (NLO) Vibrational Spectra Density Functional Calculations

Natural Bond Orbital(NBO)Population Analysis,First Order Hyperpolarizabilities and Thermodynamic Properties of Cyclohexanone: 《光谱学与光谱分析》2015年第6期1506-1511,共6页Rubarani P.Gangadharan S.Sampath Krishnan; The molecular structure of cyclohexanone was calculated by the B3LYP density functional model with 6-31G(d,p)and 6-311++G(d,p)basis set by Gaussian program.The results from natural bond orbital(NBO)analysis have been ...; 关键词：Density functional theory(DFT) Natural Bond Orbital(NBO)Analysis HYPERPOLARIZABILITY

HYPERPOLARIZABILITY