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• 期刊论文 [105]

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浏览/检索结果: 共105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 Interpreting main features of the differential absorbance spectra of chlorinated natural organic matter: Comparison of the experimental and theoretical spectra of model compounds 期刊论文  OAI收割 WATER RESEARCH, 2020, 卷号: 185, 页码: 1-12 作者:  Chen, Bingya;  Zhang, Chenyang;  Zhao, Yanmei;  Wang, Dongsheng;  Korshin, Gregory, V   |  收藏  |  浏览/下载：27/0  |  提交时间：2021/09/14 Chlorination  Differential absorbance spectra  Disinfection byproducts  Electronic transition  Natural organic matter  Frontier molecular orbital theory   Voltage- and time-dependent valence state transition in cobalt oxide catalysts during the oxygen evolution reaction 期刊论文  OAI收割 NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: - 作者:  Zhou, J   |  收藏  |  浏览/下载：36/0  |  提交时间：2021/09/06 WATER OXIDATION  ELECTRONIC-STRUCTURE  SURFACE  ELECTROCATALYSTS  RECONSTRUCTION  IDENTIFICATION  PEROVSKITES  SPECTRA  LEVEL   Sulfur-substituted uranyl stabilized by fluoride ligands: matrix preparation of U(O)(S)F(2)viaoxidation of U(0) by SOF2 期刊论文  OAI收割 CHEMICAL COMMUNICATIONS, 2020, 卷号: 56, 期号: 50, 页码: 6782-6785 作者:  Wei, R;  Chen, XT;  Gong, Y   |  收藏  |  浏览/下载：11/0  |  提交时间：2021/09/06 INFRARED-SPECTRA  ELECTRONIC-STRUCTURE  IMIDO ANALOGS  COMPLEXES  MOLECULES  SINGLE  ATOMS  ION  OXO  NH2   On the detection of closed orbits in time-dependent systems by using double-pulse lasers 期刊论文  OAI收割 COMMUNICATIONS IN THEORETICAL PHYSICS, 2020, 卷号: 72, 期号: 9, 页码: 95503 作者:  Khan, S. U.;  Du, M. L.   |  收藏  |  浏览/下载：14/0  |  提交时间：2021/09/27 ELECTRONIC WAVE-PACKETS  CLASSICAL ORBITS  QUANTUM SPECTRA  MAGNETIC-FIELD  CROSS-SECTION  HYDROGEN-ATOM  PHOTODETACHMENT  IONIZATION  INTERFERENCE  PHOTOIONIZATION   A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system 期刊论文  OAI收割 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7 作者:  Yang, Dapeng;  Song, Xiaoyan;  Zhang, Tianjie;  Gao, Haiyan   |  收藏  |  浏览/下载：59/0  |  提交时间：2019/12/02 charge density difference  dual hydrogen bonds  electronic densities  infrared vibrational spectra  potential energy surfaces   Theoretical analyses of chemical bonding in terminal EThF2 (E = O, S, Se, Te) 期刊论文  OAI收割 NUCLEAR SCIENCE AND TECHNIQUES, 2019, 卷号: 30, 期号: 5, 页码: — 作者:  Li, YL;  Xiong, XG;  Liu, HT   |  收藏  |  浏览/下载：54/0  |  提交时间：2019/12/30 SMALL-CORE PSEUDOPOTENTIALS  MATRIX INFRARED-SPECTRA  ELECTRONIC-STRUCTURE  SOLID ARGON  ACTINIDE  THORIUM  SPECTROSCOPY  LANTHANIDE  COVALENCY  ATOMS   Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文  OAI收割 INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810 作者:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA;  Andrews, L   |  收藏  |  浏览/下载：42/0  |  提交时间：2020/10/16 DENSITY-FUNCTIONAL CALCULATIONS  2ND-ORDER PERTURBATION-THEORY  COUPLED-CLUSTER THEORY  MATRIX-ISOLATION  OXYGEN DIFLUORIDE  BENCHMARK CALCULATIONS  ELECTRONIC-STRUCTURE  VIBRATIONAL-SPECTRA  TRIPLE EXCITATIONS  CORRELATION-ENERGY   First principles investigation of Be3X2 (X = N, P, As) and their alloys for solar cell applications 期刊论文  OAI收割 Journal of Alloys and Compounds, 2019, 卷号: 795, 页码: 385-390 作者:  M.Ullah;  R.Ali;  G.Murtaza;  Y.Chen   |  收藏  |  浏览/下载：51/0  |  提交时间：2020/08/24 Beryllium nitride alloys,Optical spectra,Device absorption,efficiencies,thermoelectric properties,structural-properties,electronic-structure,halide perovskites,optical-properties,crystal-structure,alpha-be3n2,Chemistry,Materials Science,Metallurgy & Metallurgical Engineering   Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文  OAI收割 ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711 作者:  Cheng, Shi-Bo;  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua   |  收藏  |  浏览/下载：44/0  |  提交时间：2019/06/20 indeno[1,2-b] fluorene-6,12-dione-based molecules  intrinsic hole mobility  intrinsic electron mobility  electronic spectra  density functional theory (DFT)  structure-function relationship   Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials 期刊论文  iSwitch采集 Acta crystallographica section b-structural science crystal engineering and materials, 2018, 卷号: 74, 页码: 705-711 作者:  Huang, Jin-Dou;  Zhao, Jinfeng;  Yu, Kun;  Huang, Xiaohua;  Cheng, Shi-Bo 收藏  |  浏览/下载：68/0  |  提交时间：2019/05/08 Indeno[1,2-b] fluorene-6,12-dione-based molecules  Intrinsic hole mobility  Intrinsic electron mobility  Electronic spectra  Density functional theory (dft)  Structure-function relationship