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浏览/检索结果: 共9条，第1-9条 帮助 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 Mechanism Insights into Second-Order Nonlinear Optical Responses of Anionic Metal Clusters 期刊论文 Journal of Cluster Science, 2011, 卷号: 22, 期号: 3, 页码: 365-380 Q. H. Li; K. C. Wu; R. J. Sa; Y. Q. Wei 收藏  |  浏览/下载：83/0  |  提交时间：2012/06/06 Density functional calculations  Charge transfer  Metal-metal  interactions  Nonlinear optics  correct asymptotic-behavior  order regular approximation  density-functional theory  quadratic hyperpolarizability  correlation  energies  crystal-structure  screening model  nlo properties  electron-gas  complexes   Proper choice of XC functionals and calculations of fluorescence-emitting energies for coumarin derivatives 期刊论文 2010, 2010 Wang, Yi-Lei; Wu, Guo-Shi 收藏  |  浏览/下载：2/0 Improving the TDDFT calculation of low-lying excited states for polycyclic aromatic hydrocarbons using the Tamm-Dancoff approximation 期刊论文 2010, 2010 Wang, Yi-Lei; Wu, Guo-Shi 收藏  |  浏览/下载：2/0 Dipole polarizabilities of trimetallic nitride endohedral fullerenes M3N@C-2n (M = Sc and Y; 2n=68-98) 期刊论文 Chemical Physics Letters, 2009, 卷号: 475, 期号: 1-3, 页码: 73-77 J. G. He, K. C. Wu, R. J. Sa, Q. H. Li and Y. Q. Wei 收藏  |  浏览/下载：23/0  |  提交时间：2012/11/06 correct asymptotic-behavior  correlation-energy  interaction-model  electron-gas  density  approximation  clusters  c-60  molecules  family   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：21/0  |  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 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：13/0  |  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 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 the organic and organometallic phenylacetylene dendrimers 期刊论文 Acta Chimica Sinica, 2008, 卷号: 66, 期号: 7, 页码: 729-737 C. P. Liu; P. Liu and K. C. Wu 收藏  |  浏览/下载：12/0  |  提交时间：2013/01/22 density functional theory  organic phenylacetylene dendrimer  organometallic phenylacetylene dendrimer  excited-state property  nonlinear optical property  correct asymptotic-behavior  density-functional theory  antenna  supermolecules  2-photon absorption  ir-spectra  complexes  energy  2nd-order  hyperpolarizability  approximation   Solvent and intermolecular effects on first hyperpolarizabilities of organometallic tungsten-carbonyl complexes, a TDDFT study 期刊论文 Journal of Physical Chemistry A, 2007, 卷号: 111, 期号: 32, 页码: 7925-7932 Q. H. Li; R. J. Sa; C. P. Liu; K. C. Wu 收藏  |  浏览/下载：21/0  |  提交时间：2013/04/01 nonlinear-optical-properties  transition-metal-complexes  heteronuclear  bimetallic complexes  correct asymptotic-behavior  density-functional  schemes  quadratic hyperpolarizabilities  acceptor groups  electron-donor  clusters  ligand