机构

• 福建物质结构研究所 [5]

采集方式

• OAI收割 [5]

内容类型

• 期刊论文 [5]

发表日期

• 2009 [3]
• 2008 [1]
• 2007 [1]

学科主题

筛选

浏览/检索结果: 共5条，第1-5条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 A New Hybrid DFT Approach to Electronic Excitation and First Hyperpolarizabilities of Transition Metal Complexes 期刊论文  OAI收割 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：23/0  |  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   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：20/0  |  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  OAI收割 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：18/0  |  提交时间：2012/11/06 TDDFT  UV-vis spectrum  transition metal  nonlinear optical  quadratic hyperpolarizabilities  optical nonlinearities  nlo responses  complexes  chemistry   The effect of ligands on the first hyperpolarizabilities of rich d electron molecular system: iridium clusters, a TDDFT study 期刊论文  OAI收割 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：23/0  |  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  OAI收割 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：34/0  |  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