机构

• 长春应用化学研究所 [7]
• 福建物质结构研究所 [4]
• 过程工程研究所 [1]

采集方式

• OAI收割 [12]

内容类型

• 期刊论文 [12]

发表日期

• 2015 [1]
• 2014 [1]
• 2013 [2]
• 2012 [3]
• 2011 [3]
• 2009 [2]
• 更多

学科主题

筛选

浏览/检索结果: 共12条，第1-10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 Insight into the activity of efficient acid-base bifunctional catalysts for the coupling reaction of CO2 期刊论文  OAI收割 MOLECULAR PHYSICS, 2015, 卷号: 113, 期号: 22, 页码: 3524 作者:  Wang, L;  Jin, XF;  Li, Y;  Li, P;  Zhang, JL 收藏  |  浏览/下载：19/0  |  提交时间：2016/04/22 alkyl chain length  POLARIZABLE CONTINUUM MODEL  ionic liquid  FUNCTIONALIZED IONIC LIQUID  acid-base bifunctional catalyst  CARBON-DIOXIDE  CO2  CYCLIC CARBONATES  ORGANIC CARBONATES  CHEMICAL FIXATION  EPOXIDES  CYCLOADDITION  SOLVENT  NANOPARTICLES   A DFT/TDDFT study on the effect of CN substitution on color tuning and phosphorescence efficiency of a series of Ir(III) complexes with phosphine- silanolate ligands 期刊论文  OAI收割 dalton transactions, 2014, 卷号: 43, 期号: 2, 页码: 714-721 Si, Yanling; Sun, Xiaobo; Liu, Yuqi; Qu,Xiaochun; Wang,Ying; Wu,Zhijian 收藏  |  浏览/下载：36/0  |  提交时间：2015/10/19 DENSITY-FUNCTIONAL THEORY  CYCLOMETALATED IRIDIUM(III) COMPLEXES  EFFECTIVE CORE POTENTIALS  POLARIZABLE CONTINUUM MODEL  TRANSFER EXCITED-STATES  MOLECULAR CALCULATIONS  HIGHLY EFFICIENT  NONCOVALENT INTERACTIONS  PHOTOPHYSICAL PROPERTIES  THERMOCHEMICAL KINETICS   Theoretical study on the effect of N-substitution on the electronic structures and photophysical properties of phosphorescent Ir(III) complexes 期刊论文  OAI收割 dalton transactions, 2013, 卷号: 42, 期号: 39, 页码: 14149-14157 Si YL; Liu YQ; Qu XC; Wang Y; Wu ZJ 收藏  |  浏览/下载：27/0  |  提交时间：2014/04/16 DENSITY-FUNCTIONAL THEORY  RANGE CHARGE-TRANSFER  EFFECTIVE CORE POTENTIALS  LIGHT-EMITTING DEVICES  CYCLOMETALATED IRIDIUM(III) COMPLEXES  POLARIZABLE CONTINUUM MODEL  TRANSFER EXCITED-STATES  MOLECULAR CALCULATIONS  ELECTROLUMINESCENT DEVICES  TEMPERATURE-DEPENDENCE   Theoretical study on the influence of different N<^>N ligands on the electronic structures and optoelectronic properties of heteroleptic Iridium(III) complexes 期刊论文  OAI收割 molecular physics, 2013, 卷号: 111, 期号: 24, 页码: 3716-3725 Si YL; Liu YQ; Gahungu G; Qu XC; Wu ZJ 收藏  |  浏览/下载：16/0  |  提交时间：2014/04/15 DENSITY-FUNCTIONAL THEORY  POLARIZABLE CONTINUUM MODEL  TRANSFER EXCITED-STATES  LIGHT-EMITTING DEVICES  IR(III) COMPLEXES  PHOTOPHYSICAL PROPERTIES  MOLECULAR MATERIAL  ANCILLARY LIGANDS  CHIRAL MOLECULES  PHOSPHORESCENT   Theoretical study on the influence of ancillary and cyclometalated ligands on the electronic structures and optoelectronic properties of heteroleptic iridium(III) complexes 期刊论文  OAI收割 dalton transactions, 2012, 卷号: 41, 期号: 25, 页码: 7595-7603 Liu YQ; Gahungu G; Sun XB; Su JJ; Qu XC; Wu ZJ 收藏  |  浏览/下载：29/0  |  提交时间：2013/06/30 DENSITY-FUNCTIONAL THEORY  LIGHT-EMITTING-DIODES  HETEROCYCLIC CARBENE LIGANDS  POLARIZABLE CONTINUUM MODEL  ELECTROPHOSPHORESCENT DEVICES  TRANSPORTING MATERIALS  EXCITATION-ENERGIES  IR(III) COMPLEXES  BLUE  EFFICIENCY   Nonlinear optical properties for a class of hexa-peri-hexabenzocoronene chromophores: a computational investigation 期刊论文  OAI收割 dalton transactions, 2012, 卷号: 41, 期号: 40, 页码: 12416-12427 Liu XT; Guo JF; Ren AM; Huang S; Feng JK 收藏  |  浏览/下载：56/0  |  提交时间：2013/06/30 2-PHOTON ABSORPTION PROPERTIES  POLARIZABLE CONTINUUM MODEL  THERMOCHEMICAL KINETICS  CONJUGATED MOLECULES  ABSORBING MATERIALS  CROSS-SECTIONS  ONE-PHOTON  DENSITY  DERIVATIVES  ENERGY   Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2 ',3 '-h]quinoxaline ligand 期刊论文  OAI收割 synthetic metals, 2012, 卷号: 162, 期号: 15-16, 页码: 1392-1399 Su JJ; Sun XB; Gahungu G; Qu XC; Liu YQ; Wu ZJ 收藏  |  浏览/下载：26/0  |  提交时间：2013/04/23 DENSITY-FUNCTIONAL THEORY  POLARIZABLE CONTINUUM MODEL  ENERGY-GAP LAW  EXCITED-STATES  ELECTROLUMINESCENT DEVICES  IR(III) COMPLEXES  ELECTROCHEMICAL PROPERTIES  BLUE PHOSPHORESCENCE  EXCITATION-ENERGIES  ANCILLARY LIGAND   Mechanochromic Luminescence Switch of Platinum(II) Complexes with 5-Trimethylsilylethynyl-2,2 '-bipyridine 期刊论文  OAI收割 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：35/0  |  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  OAI收割 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：23/0  |  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   Vapor- and Mechanical-Grinding-Triggered Color and Luminescence Switches for Bis(sigma-fluorophenylacetylide) Platinum(II) Complexes 期刊论文  OAI收割 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：29/0  |  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