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浏览/检索结果: 共5条，第1-5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 The influence of numbers and ligation positions of the triphenylamine unit on the photophysical and electroluminescent properties of homoleptic iridium(III) complexes: a theoretical perspective 期刊论文 dalton transactions, 2014, 卷号: 43, 期号: 31, 页码: 11915-11924 Liu, Yuqi; Sun, Xiaobo; Wang, Ying; Wu,Zhijian 收藏  |  浏览/下载：15/0  |  提交时间：2015/10/19 LIGHT-EMITTING-DIODES  DENSITY-FUNCTIONAL THEORY  PHOSPHORESCENT IR(III) COMPLEXES  EFFECTIVE CORE POTENTIALS  ELECTRON-TRANSFER  AB-INITIO  CYCLOMETALATED PLATINUM(II)  OPTOELECTRONIC PROPERTIES  REORGANIZATION ENERGIES  MOLECULAR CALCULATIONS   Tuning the electronic properties and quantum efficiency of blue Ir(III) carbene complexes via different azole-pyridine-based (NN)-N-boolean AND ' ligands 期刊论文 rsc advances, 2014, 卷号: 4, 期号: 12, 页码: 6284-6292 Liu, Yuqi; Sun, Xiaobo; Si, Yanling; Qu,Xiaochun; Wang,Ying; Wu,Zhijian 收藏  |  浏览/下载：22/0  |  提交时间：2015/10/19 LIGHT-EMITTING-DIODES  DENSITY-FUNCTIONAL THEORY  ORGANIC ELECTROLUMINESCENT DEVICES  CYCLOMETALATED IRIDIUM COMPLEXES  EFFECTIVE CORE POTENTIALS  PHOSPHITE TRIPOD LIGAND  AB-INITIO  PHOSPHORESCENCE EFFICIENCY  MOLECULAR CALCULATIONS  CIRCULAR-DICHROISM   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：30/0  |  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   The effect of CN-substitution on the electronic and photophysical properties of bis(carbene) Ir(III) complexes containing 2-(1H-pyrazol-5-yl)pyridinato ancillary ligand: A theoretical perspective 期刊论文 synthetic metals, 2014, 卷号: 195, 期号: 9, 页码: 16-22 Liu,Yuqi; Sun,Xiaobo; Wang,Ying; Wu,Zhijian 收藏  |  浏览/下载：20/0  |  提交时间：2015/10/21 LIGHT-EMITTING-DIODES  DENSITY-FUNCTIONAL THEORY  BLUE ORGANIC ELECTROPHOSPHORESCENCE  EFFECTIVE CORE POTENTIALS  CYCLOMETALATED IRIDIUM COMPLEXES  HETEROCYCLIC CARBENE LIGANDS  AB-INITIO  MOLECULAR CALCULATIONS  ELECTROLUMINESCENT DEVICES  OPTOELECTRONIC PROPERTIES   Quantum chemical characterization and design of homoleptic Ir(III) complexes employing triphenylamine-featured thiazole-based ligand for efficient phosphors in OLEDs 期刊论文 synthetic metals, 2014, 卷号: 198, 期号: 23, 页码: 67-75 Liu, Yuqi; Sun, Xiaobo; Wang, Ying; Wu,Zhijian 收藏  |  浏览/下载：18/0  |  提交时间：2015/10/21 LIGHT-EMITTING-DIODES  DENSITY-FUNCTIONAL THEORY  EFFECTIVE CORE POTENTIALS  IRIDIUM(III) COMPLEXES  CYCLOMETALATED PLATINUM(II)  OPTOELECTRONIC PROPERTIES  SPECTROSCOPIC PROPERTIES  PHOTOPHYSICAL PROPERTIES  MOLECULAR CALCULATIONS  CONJUGATED POLYMERS