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浏览/检索结果: 共20条，第1-10条 帮助 限定条件 专题：福建物质结构研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 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   A New Hybrid DFT Approach to Electronic Excitation and First Hyperpolarizabilities of Transition Metal Complexes 期刊论文 Journal of Computational Chemistry, 2009, 卷号: 30, 期号: 13, 页码: 2056-2063 J. Lin, K. C. Wu and M. X. Zhang 收藏  |  浏览/下载：18/0  |  提交时间：2012/11/06 hybrid exchange functional  organometallic molecule  conventional  density functional  optical property  nonlinear-optical properties  generalized-gradient-approximation  density-functional theory  quadratic hyperpolarizabilities  organometallic complexes  dipole-moment  exchange functionals  correlation energies  carbonyl-complexes  acceptor groups   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   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 收藏  |  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   Second-order nonlinear optical properties of transition metal clusters MoS4Cu4X2Py2 (M = Mo, W; X = Br, I) 期刊论文 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   6 Ligand-controlled First Hyperpolarizabilities of a Series of Tetrahedral Iridium Clusters Ir-4(CO)(9)L: a TDDFT Study 期刊论文 Chinese Journal of Structural Chemistry, 2009, 卷号: 28, 期号: 1, 页码: 106-112 F. J. Li, R. J. Sa, Y. J. Wei and K. C. Wu 收藏  |  浏览/下载：13/0  |  提交时间：2012/11/06 TDDFT  UV-vis spectrum  iridium cluster  nonlinear optical  optical nonlinearities  carbonyl clusters  crystal-structure  nlo  responses  derivatives  complexes  ir4(co)12  dynamics   TDDFT Study on the Electronic Excitations and First Hyperpolarizabilities of Mixed-metal Carbonyl Clusters W2Ir2(mu-L)(CO)(8) (eta(5)-C5H4Me)(2)(L = dppe/dppf) 期刊论文 Chinese Journal of Structural Chemistry, 2009, 卷号: 28, 期号: 1, 页码: 99-105 F. J. Li, R. J. Sa and K. C. Wu 收藏  |  浏览/下载：14/0  |  提交时间：2012/11/06 TDDFT  UV-vis spectrum  transition metal  nonlinear optical  quadratic hyperpolarizabilities  optical nonlinearities  nlo responses  complexes  chemistry   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 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   Theoretical investigations of nonlinear optical properties of transition metal cluster anionsa 期刊论文 Chinese Journal of Structural Chemistry, 2008, 卷号: 27, 期号: 8, 页码: 955-966 C. P. Liu; R. J. Sa; C. Y. Mang; Q. H. Li; F. J. Li and K. C. Wu 收藏  |  浏览/下载：12/0  |  提交时间：2013/01/22 transition metal cluster anions  density functional theory  electronic  excitation spectra  hyperpolarizability  element substituting effect  solvent effect  molecular polarizabilities  limiting properties  crystal-structures  complexes  density  hyperpolarizabilities  1st-row  planar  alpha  donor