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浏览/检索结果: 共8条，第1-8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 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   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   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   The effect of ligands on the first hyperpolarizabilities of rich d electron molecular system: iridium clusters, a TDDFT study 期刊论文 Molecular Physics, 2008, 卷号: 106, 期号: 21-23, 页码: 2537-2544 F. J. Li; R. J. Sa and K. C. Wu 收藏  |  浏览/下载：18/0  |  提交时间：2013/01/22 TDDFT  UV-Vis spectrum  transition metal  nonlinear optical  nonlinear-optical properties  quadratic hyperpolarizabilities  nlo  responses  complexes   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   Second-order non-linear optical properties of Langmuir-Blodgett films of a new azo compound (p-NO2)C6H4N=NC10H6O(CH2)(3)N(CH3)(2)C18H37Br and its europium complex 期刊论文 材料化学杂志, 1996 Xia, WS; Huang, CH; Cheng, TR; Gan, LB; Zhao, XS; Yu, AC 收藏  |  浏览/下载：10/0  |  提交时间：2015/11/12 2ND-HARMONIC GENERATION  DYES