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浏览/检索结果: 共7条，第1-7条 帮助 限定条件 专题：长春应用化学研究所    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 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 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：31/0  |  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 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：20/0  |  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 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：13/0  |  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 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：17/0  |  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 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：54/0  |  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 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：23/0  |  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   An Extremely High Molar Extinction Coefficient Ruthenium Sensitizer in Dye-Sensitized Solar Cells: The Effects of pi-Conjugation Extension 期刊论文 journal of physical chemistry c, 2009, 卷号: 113, 期号: 32, 页码: 14559-14566 Yu QJ; Liu S; Zhang M; Cai N; Wang Y; Wang P 收藏  |  浏览/下载：294/74  |  提交时间：2010/05/27 DENSITY-FUNCTIONAL THEORY  TIO2/DYE/CUSCN PHOTOVOLTAIC CELLS  NANOCRYSTALLINE TITANIUM-DIOXIDE  POLARIZABLE CONTINUUM MODEL  IONIC LIQUID ELECTROLYTES  CHARGE-TRANSPORT  TIO2 FILMS  COMPLEXES  LIGHT  RECOMBINATION