机构

• 长春应用化学研究所 [39]
• 福建物质结构研究所 [10]
• 金属研究所 [9]
• 上海应用物理研究所 [2]
• 过程工程研究所 [1]
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采集方式

• OAI收割 [62]

内容类型

• 期刊论文 [62]

发表日期

• 2019 [1]
• 2018 [1]
• 2014 [10]
• 2013 [8]
• 2012 [3]
• 2011 [12]
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学科主题

• Chemistry,... [1]

筛选

浏览/检索结果: 共62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 Bottom-Up Construction of Active Sites in a Cu-N-4-C Catalyst for Highly Efficient Oxygen Reduction Reaction 期刊论文  OAI收割 ACS NANO, 2019, 卷号: 13, 期号: 3, 页码: 3177—3187 作者:  Li, W;  Min, CG;  Tan, F;  Li, ZP;  Zhang, BS   |  收藏  |  浏览/下载：38/0  |  提交时间：2019/12/30 PEM FUEL-CELLS  EFFECTIVE CORE POTENTIALS  X-RAY-DIFFRACTION  O-2 REDUCTION  MOLECULAR CALCULATIONS  CARBON MATERIALS  GRAPHENE OXIDE  CU COMPLEXES  COPPER  ELECTROCATALYSTS   Thiolate-Protected Hollow Gold Nanospheres 期刊论文  OAI收割 ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 7, 页码: 770-775 作者:  Xu, WW;  Gao, Y   |  收藏  |  浏览/下载：28/0  |  提交时间：2018/09/06 Effective Core Potentials  X-ray Crystallography  Crystal-structure  Optical-properties  Molecular Calculations  Theoretical-analysis  Electronic-properties  Structural Evolution  Nanoparticles  Nanoclusters   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  OAI收割 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：17/0  |  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  OAI收割 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：27/0  |  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  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：35/0  |  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 Electronic Structures and Optical Properties of Blue-Green and Blue Phosphorescent Iridium(III) Complexes with Tetraphenylimidodiphosphinate Ligand 期刊论文  OAI收割 international journal of quantum chemistry, 2014, 卷号: 114, 期号: 3, 页码: 183-191 Shang, Xiao-Hong; Liu, Yu-Qi; Su, Juan-Juan; Gahungu,Gudefroid; Qu,Xiao-Chun; Wu,Zhi-Jian 收藏  |  浏览/下载：44/0  |  提交时间：2015/10/22 LIGHT-EMITTING-DIODES  ORGANIC ELECTROLUMINESCENT DEVICES  DENSITY-FUNCTIONAL THEORY  EFFECTIVE CORE POTENTIALS  BOOLEAN-AND-N  PHOTOPHYSICAL PROPERTIES  DIIMINE COMPLEXES  HIGH-EFFICIENCY  AB-INITIO  PLATINUM(II) COMPLEXES   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  OAI收割 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：21/0  |  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   A large perturbation on electronic and photophysical properties of Ir(III) carbene complexes caused by the variation of N-substitution in N,N '-heteroaromatic ligands 期刊论文  OAI收割 chemical physics letters, 2014, 卷号: 610, 期号: 11, 页码: 394-400 Liu, Yuqi; Si, Yanling; Wang, Ying; Wu,Zhijian 收藏  |  浏览/下载：35/0  |  提交时间：2015/10/21 LIGHT-EMITTING-DIODES  DENSITY-FUNCTIONAL THEORY  ORGANIC ELECTROLUMINESCENT DEVICES  CYCLOMETALATED IRIDIUM COMPLEXES  EFFECTIVE CORE POTENTIALS  AB-INITIO  MOLECULAR CALCULATIONS  RED PHOSPHORESCENCE  QUANTUM EFFICIENCY  CIRCULAR-DICHROISM   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  OAI收割 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：23/0  |  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   Photophysical properties and theoretical calculations of Cu(I) dendrimers 期刊论文  OAI收割 journal of luminescence, 2014, 卷号: 148, 期号: 22, 页码: 103-110 Si, Zhenjun; An, Chun-Ai; Song, Shuyan; Zhang,Hongjie 收藏  |  浏览/下载：30/0  |  提交时间：2015/10/21 DENSITY-FUNCTIONAL THEORY  EFFECTIVE CORE POTENTIALS  EXCITED-STATES  MOLECULAR CALCULATIONS  COMPLEXES  DENDRONS  LIGANDS  MODEL  DNA