机构

• 福建物质结构研究所 [12]
• 长春应用化学研究所 [9]
• 上海药物研究所 [2]
• 上海应用物理研究所 [2]
• 近代物理研究所 [2]
• 物理研究所 [1]
• 更多

采集方式

• OAI收割 [32]

内容类型

• 期刊论文 [32]

发表日期

• 2020 [1]
• 2017 [1]
• 2016 [1]
• 2015 [1]
• 2014 [1]
• 2013 [2]
• 更多

学科主题

• Physics [5]
• Chemistry [4]
• Atomic [1]
• Molecular ... [1]
• Physical [1]

筛选

浏览/检索结果: 共32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 Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Property and Molecular Nonlinearity 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5563-5569 作者:  Liu, Zeyu;  Tian, Ziqi;  Lu, Tian;  Hua, Shugui   |  收藏  |  浏览/下载：33/0  |  提交时间：2020/12/16 DENSITY-FUNCTIONAL THEORY  ZETA VALENCE QUALITY  GAUSSIAN-BASIS SETS  1ST HYPERPOLARIZABILITY  EXCITATION-ENERGIES  OPTICAL PROPERTIES  APPROXIMATION  ABSORPTION  PARAMETERS  CRYSTAL   The NUBASE2016 evaluation of nuclear properties 期刊论文  OAI收割 CHINESE PHYSICS C, 2017, 卷号: 41, 期号: 3, 页码: 138 作者:  Audi, G.;  Wang, Meng;  Huang, W. J.;  Naimi, S.;  Kondev, F. G.   |  收藏  |  浏览/下载：28/0  |  提交时间：2018/04/13 NUBASE2016 evaluation  nuclear properties  Atomic Mass Evaluation (AME)  excitation energies of isomers  Evaluated Nuclear Structure Data File (ENSDF)   Probing the Electronic Structure and Chemical Bonding of Mono-Uranium Oxides with Different Oxidation States: UOx- and UOx (x=3-5) 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 120, 期号: 7, 页码: 1084—1096 作者:  Su, J;  Li, WL;  Lopez, GV;  Jian, T;  Cao, GJ 收藏  |  浏览/下载：110/0  |  提交时间：2016/09/12 RELATIVISTIC QUANTUM-CHEMISTRY  KOHN-SHAM ORBITALS  INFRARED-SPECTRA  BASIS-SETS  GAS-PHASE  VALENCE INDEXES  WAVE-FUNCTIONS  PHOTOELECTRON-SPECTROSCOPY  EXCITATION-ENERGIES  SPIN-ORBIT   A Comprehensive Theoretical Investigation of the Molecular Properties of Methyl Bromide (CH3Br) 期刊论文  OAI收割 ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2015, 卷号: 70, 期号: 12, 页码: 1025-1030 Yu, Ang-Yang; Efil, Kursat; Yang, Rui; Hu, Qing-Miao 收藏  |  浏览/下载：15/0  |  提交时间：2016/04/21 Excitation Energies  Ground State and Triplet State  Methyl Bromide (CH3Br)  Solvent Effects   Squared form factors of vibronic excitations in 12-13.3 eV of nitrogen studied by high-resolution inelastic x-ray scattering 期刊论文  OAI收割 PHYSICAL REVIEW A, 2014, 卷号: 89, 期号: 3 Peng, YG; Kang, X; Yang, K; Zhao, XL; Liu, YW; Mei, XX; Xu, WQ; Hiraoka, N; Tsuei, KD; Zhu, LF 收藏  |  浏览/下载：134/0  |  提交时间：2015/03/13 GENERALIZED OSCILLATOR-STRENGTHS  DIFFERENTIAL CROSS-SECTIONS  ELECTRON-IMPACT EXCITATION  VIBRATIONAL PROGRESSION  KINETIC ENERGIES  B-X  STATES  N2  TRANSITIONS  C3-PI-U   Theoretical study on electronic structures and optical properties of blue phosphorescent Iridium(III) complexes with (CN)-N-boolean AND and (NN)-N-boolean AND ligands 期刊论文  OAI收割 journal of luminescence, 2013, 卷号: 143, 页码: 402-408 Shang XH; Liu YQ; Qu XC; Wu ZJ 收藏  |  浏览/下载：148/0  |  提交时间：2014/04/15 DENSITY-FUNCTIONAL THEORY  LIGHT-EMITTING-DIODES  EFFECTIVE CORE POTENTIALS  MOLECULAR CALCULATIONS  EXCITATION-ENERGIES  SPECTRAL PROPERTIES  IR(III) COMPLEXES  CHARGE-TRANSFER  EXCITED-STATES  EFFICIENCY   Theoretical Study on Cationic Iridium(III) Complexes with a Diphosphane Ligand - Geometry, Electronic Properties, and Application for Light-Emitting Electrochemical Cells 期刊论文  OAI收割 european journal of inorganic chemistry, 2013, 期号: 19, 页码: 3370-3383 Qu XC; Liu YQ; Godefroid G; Si YL; Shang XH; Wu X; Wu ZJ 收藏  |  浏览/下载：26/0  |  提交时间：2014/04/15 DENSITY-FUNCTIONAL THEORY  IR-III COMPLEXES  ELECTROLUMINESCENT DEVICES  IR(III) COMPLEXES  ANCILLARY LIGANDS  EXCITATION-ENERGIES  EXCITED-STATES  SPECTROSCOPIC PROPERTIES  POLYPYRIDYL COMPLEXES  RESPONSE THEORY   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：28/0  |  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   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