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浏览/检索结果: 共27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 Experimental and theoretical study of three new benzothiazole-fused carbazole derivatives 期刊论文 Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2011, 卷号: 81, 期号: 1, 页码: 730-738 H. P. Shi; L. Xu; Y. Cheng; J. Y. He; J. X. Dai; L. W. Xing; B. Q. Chen; L. Fang 收藏  |  浏览/下载：31/0  |  提交时间：2012/06/06 Benzothiazole  Carbazole  Absorption spectra  Emission spectra  TDDFT  blue  fluorescence  complexes  molecules  polymers  emitters  green  model   Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2 '-bipyridine 期刊论文 Inorganic Chemistry, 2011, 卷号: 50, 期号: 18, 页码: 9090-9096 J. Ni; X. Zhang; N. Qiu; Y. H. Wu; L. Y. Zhang; J. Zhang; Z. N. Chen 收藏  |  浏览/下载：31/0  |  提交时间：2012/06/06 crystalline colloidal arrays  polarizable continuum model  ab-initio  pseudopotentials  closed-shell attraction  transition-elements  excitation-energies  ligands  photoluminescence  gold(i)  photophysics   Spectroscopic, Electrochemical, and DFT Studies of Oxo-Centered Triruthenium Cluster Complexes with a Bis(tridentate) Triazine Ligand 期刊论文 European Journal of Inorganic Chemistry, 2011, 期号: 14, 页码: 2306-2316 F. R. Dai; Y. H. Wu; L. Y. Zhang; B. Li; L. X. Shi; Z. N. Chen 收藏  |  浏览/下载：18/0  |  提交时间：2012/06/06 Ruthenium  Cluster compounds  N ligands  Redox chemistry  Density  functional calculations  density-functional thermochemistry  trinuclear ruthenium complex  polarizable continuum model  effective core potentials  mixed-valence  chemistry  redox behavior  electronic communication  molecular  calculations  reversible multistep  excitation-energies   Substituted zinc phthalocyanine as an antimicrobial photosensitizer for periodontitis treatment 期刊论文 Journal of Porphyrins and Phthalocyanines, 2011, 卷号: 15, 期号: 4, 页码: 293-299 J. C. Chen; Z. Chen; Y. Q. Zheng; S. Y. Zhou; J. D. Wang; N. S. Chen; J. L. Huang; F. H. Yan; M. D. Huang 收藏  |  浏览/下载：32/0  |  提交时间：2012/06/06 Porphyromonas gingivalis  periodontitis  photodynamic therapy  antimicrobial activity  zinc phthalocyanine-polylysine conjugate  photodynamic therapy  beagle dog  in-vitro  bacteria  disease  model  cancer   Vapor- and Mechanical-Grinding-Triggered Color and Luminescence Switches for Bis(sigma-fluorophenylacetylide) Platinum(II) Complexes 期刊论文 Chemistry-a European Journal, 2011, 卷号: 17, 期号: 4, 页码: 1171-1183 J. Ni; X. Zhang; Y. H. Wu; L. Y. Zhang; Z. N. Chen 收藏  |  浏览/下载：22/0  |  提交时间：2012/06/06 luminescence  mechanochromism  platinum  sensors  vapochromism  reversible mechanochromic luminescence  crystalline colloidal arrays  polarizable continuum model  ab-initio pseudopotentials  volatile  organic-compounds  closed-shell attraction  alpha-diimine ligands  pi-pi  interactions  solid-state  environmental sensors   Structural Characteristics, Electronic Structure, and Thermoelectric Property of New Sb-Based Type-I Clathrates from Density Functional Theory Calculations 期刊论文 Chemistry of Materials, 2010, 卷号: 22, 期号: 13, 页码: 4007-4018 L. H. Li, L. Chen, J. Q. Li and L. M. Wu 收藏  |  浏览/下载：54/0  |  提交时间：2012/11/02 augmented-wave method  rigid-band model  crystal-structure  thermal-conductivity  transport-properties  ge  substitution  ba8al14si31  sr8ga16ge30  moments   Theoretical Determination of Lowest Structures of All-Metal Aromatic Clusters M4L2 (M = Al, Ga, In, Tl; L = Li, Na, K, Rb, Cs) 期刊论文 International Journal of Quantum Chemistry, 2010, 卷号: 110, 期号: 5, 页码: 1127-1135 C. Y. Mang, C. P. Liu and K. C. Wu 收藏  |  浏览/下载：36/0  |  提交时间：2012/11/02 all-metal aromatic cluster  lowest isomer  MP2  density functional  theory  coupled cluster method  quadratic configuration-interaction  compact effective potentials  set  model chemistry  exponent basis-sets  correlation-energy  atoms  molecules  density  approximation  efficient   A DFT Study of 2-Bromothiophene Adsorption on the Rh(111) Surface 期刊论文 Chinese Journal of Structural Chemistry, 2010, 卷号: 29, 期号: 7, 页码: 1051-1060 Z. H. Chen, K. N. Ding, X. L. Xu and J. J. Li 收藏  |  浏览/下载：13/0  |  提交时间：2012/11/02 2-bromothiophene  Rh(111)  DFT  adsorption  slab model  pd(100) surfaces  thiophene  ni(100)  cu(100)  molecules  pd(111)  co   A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface 期刊论文 Chinese Journal of Catalysis, 2010, 卷号: 31, 期号: 1, 页码: 49-55 Z. H. Chen, K. N. Ding, X. L. Xu and J. Q. Li 收藏  |  浏览/下载：13/0  |  提交时间：2012/11/02 2-chlorothiophene  rhodium  density functional theory  adsorption  slab  model  total-energy calculations  pd(100) surfaces  thiophene  ni(100)  cu(100)  3-chlorothiophene  molecules  exchange  pd(111)  dft   Luminescence Vapochromism of a Platinum(II) Complex for Detection of Low Molecular Weight Halohydrocarbon 期刊论文 Inorganic Chemistry, 2009, 卷号: 48, 期号: 21, 页码: 10202-10210 J. Ni, Y. H. Wu, X. Zhang, B. Li, L. Y. Zhang and Z. N. Chen 收藏  |  浏览/下载：16/0  |  提交时间：2012/11/06 polarizable continuum model  volatile organic-compounds  density-functional theory  closed-shell attraction  alpha-diimine  ligands  pi-pi interactions  structural basis  spectroscopic properties  aurophilic interactions  environmental sensors