机构

• 上海应用物理研究所 [6]
• 福建物质结构研究所 [2]
• 物理研究所 [1]
• 宁波材料技术与工程研... [1]
• 长春应用化学研究所 [1]

采集方式

• OAI收割 [11]

内容类型

• 期刊论文 [11]

发表日期

• 2020 [2]
• 2018 [2]
• 2016 [2]
• 2015 [2]
• 2009 [2]
• 2000 [1]
• 更多

学科主题

• Chemistry [1]
• Physics [1]

筛选

浏览/检索结果: 共11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 Anion Photoelectron Spectroscopy and Theoretical Study of HAuCN and [HAuCN](-): Spin-Orbit Coupling and Low-Lying Excited States 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 23, 页码: 4712-4719 作者:  Xiong, XG;  Liu, HT   |  收藏  |  浏览/下载：46/0  |  提交时间：2021/09/06 CORRELATED MOLECULAR CALCULATIONS  ORDER REGULAR APPROXIMATION  NATURAL RESONANCE THEORY  GAUSSIAN-BASIS SETS  GOLD CHEMISTRY  VALENCE INDEXES  ELECTRONIC-STRUCTURE  STATISTICAL AVERAGE  PERTURBATION-THEORY  BOND ORDER   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：38/0  |  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   Anion photoelectron spectroscopy and chemical bonding of ThO2- and ThO3- 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 24, 页码: - 作者:  Li, YL;  Zou, JH;  Xiong, XG;  Xie, H;  Tang, ZC   |  收藏  |  浏览/下载：37/0  |  提交时间：2019/12/17 2-ELECTRON VALENCE INDEXES  ELECTRONIC-STRUCTURE  INFRARED-SPECTRA  ROTATIONAL ANALYSIS  ACTINIDE COMPLEXES  URANIUM-OXIDES  BAND SYSTEMS  BASIS-SETS  MATRIX  UO2   Periodicity and Covalency of [MX2](-) (M = Cu, Ag, Au, Rg; X = H, Cl, CN) Complexes 期刊论文  OAI收割 EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2016, 期号: 9, 页码: 1395—1404 作者:  Xu, CQ;  Xiong, XG;  Li, WL;  Li, J 收藏  |  浏览/下载：29/0  |  提交时间：2016/09/12 TRANSITION-METAL-COMPLEXES  NATURAL RESONANCE THEORY  ELECTRONIC-STRUCTURE  BASIS-SETS  POPULATION ANALYSIS  GOLD NANOPARTICLES  SUPERHEAVY ELEMENT  ORGANIC-REACTIONS  CHEMICAL VALENCE  OXIDATION-STATES   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：124/0  |  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   Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl6q- (q=0-2) 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 13, 页码: — 作者:  Su, J;  Dau, PD;  Liu, HT;  Huang, DL;  Wei, F 收藏  |  浏览/下载：41/0  |  提交时间：2015/12/09 MULTIPLY-CHARGED ANIONS  MULTIREFERENCE PERTURBATION-THEORY  2-ELECTRON VALENCE INDEXES  REPULSIVE COULOMB BARRIER  REFERENCE WAVE-FUNCTIONS  KOHN-SHAM ORBITALS  ELECTRONIC-STRUCTURE  FORCE-CONSTANTS  BASIS-SETS  INTERNUCLEAR DISTANCES   Organic Donor Materials Based on Bis(arylene ethynylene)s for Bulk Heterojunction Organic Solar Cells with High V-oc Values 期刊论文  OAI收割 chemistry-an asian journal, 2015, 卷号: 10, 期号: 4, 页码: 1017-1024 作者:  Zhan,Hongmei;  Liu,Qian;  Dai,Fengrong;  Ho,Cheuk-Lam;  Fu,Yingying 收藏  |  浏览/下载：30/0  |  提交时间：2016/05/12 PROCESSED SMALL-MOLECULE  POWER-CONVERSION EFFICIENCY  LOW-BANDGAP POLYMER  VALENCE BASIS-SETS  BENZODITHIOPHENE UNIT  ORBITAL METHODS  DENSITY  ELEMENTS  DIKETOPYRROLOPYRROLE  PHOTOVOLTAICS   Structural Evolution, Sequential Oxidation, and Chemical Bonding in Tritantalum Oxide Clusters: Ta3On- and Ta3On (n=1-8) 期刊论文  OAI收割 Journal of Physical Chemistry A, 2009, 卷号: 113, 期号: 36, 页码: 9804-9813 H. J. Zhai, B. Wang, X. Huang and L. S. Wang 收藏  |  浏览/下载：14/0  |  提交时间：2012/11/06 supported tantalum oxide  d-orbital aromaticity  valence basis-sets  ab-initio pseudopotentials  transition-metal clusters  core model  potentials  photoelectron-spectroscopy  electronic-structure  quintuple  bond  catalytic-properties   Structural Evolution, Sequential Oxidation, and Chemical Bonding in Tritantalum Oxide Clusters: Ta3On- and Ta3On (n=1-8) 期刊论文  OAI收割 Journal of Physical Chemistry A, 2009, 卷号: 113, 期号: 36, 页码: 9804-9813 H. J. Zhai, B. Wang, X. Huang and L. S. Wang 收藏  |  浏览/下载：20/0  |  提交时间：2012/11/06 supported tantalum oxide  d-orbital aromaticity  valence basis-sets  ab-initio pseudopotentials  transition-metal clusters  core model  potentials  photoelectron-spectroscopy  electronic-structure  quintuple  bond  catalytic-properties