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	Mobius basket molecule: structure and properties 期刊论文 OAI收割 physical chemistry chemical physics, 2010, 卷号: 12, 期号: 31, 页码: 8847-8855 Wang YF; Li Z; Li Y; Li ZR; Li ZJ; Wu D; Ma F; Sun CC 收藏 \| 浏览/下载：66/0 \| 提交时间：2012/04/26 NONLINEAR-OPTICAL PROPERTIES DENSITY-FUNCTIONAL SCHEMES 1ST HYPERPOLARIZABILITY ABSOLUTE HARDNESS DIPOLE-MOMENT 2ND HYPERPOLARIZABILITY AROMATIC-HYDROCARBON ELECTRON-AFFINITIES STRIP POLYACENES RU/OS COMPLEXES
	Size-dependence of stability and optical properties of lead sulfide clusters 期刊论文 OAI收割 Chemical Physics Letters, 2008, 卷号: 457, 期号: 1-3, 页码: 163-168 J. G. He; C. P. Liu; F. J. Li; R. Sa and K. C. Wu 收藏 \| 浏览/下载：13/0 \| 提交时间：2013/01/22 compact effective potentials density-functional schemes exponent basis-sets pbs quantum dots electronic-properties systems atoms microcrystallites polarizabilities nanocrystals
	TDDFT study of the nonlinear optical properties of the rich d-electron molecular system - iridium/rhodium cluster: the effect of phosphaferrocene 期刊论文 OAI收割 Molecular Physics, 2008, 卷号: 106, 期号: 15, 页码: 1853-1866 F. J. Li and K. C. Wu 收藏 \| 浏览/下载：12/0 \| 提交时间：2013/01/22 TDDFT phosphaferrocene nonlinear optical orbital decomposition scheme density-functional schemes transition-metal clusters c-h activation 1st hyperpolarizabilities complexes chromophores fe(eta(5)-c5h5)(eta(5)-p(3)c(2)bu(2)(t)) sesquifulvalene metallocenes derivatives
	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：31/0 \| 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