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浏览/检索结果: 共12条，第1-10条 帮助 限定条件 发表日期：2015     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 Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling 期刊论文 journal of chemical physics, 2015, 卷号: 142, 期号: 14, 页码: 144109 作者:  Wang, Zhifan;  Hu, Shu;  Wang, Fan;  Guo, Jingwei 收藏  |  浏览/下载：20/0  |  提交时间：2015/11/16 An unusual density evolution between SrCdB2O5 polymorphs 期刊论文 DALTON TRANSACTIONS, 2015 Zhang, Xingwen; Zhou, Zhengyang; Wu, Hongping; Pan, Shilie; Lei, Chen; Liu, Lu; Yang, Zhihua 收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03 BOND-VALENCE PARAMETERS  CRYSTAL-STRUCTURE  PSEUDOPOTENTIALS  SOLIDS   A Combined IM-MS/DFT Study on [Pd( MPAA)]-Catalyzed Enantioselective C-H Activation: Relay of Chirality through a Rigid Framework 期刊论文 CHEMISTRY-A EUROPEAN JOURNAL, 2015 Cheng, Gui-Juan; Chen, Ping; Sun, Tian-Yu; Zhang, Xinhao; Yu, Jin-Quan; Wu, Yun-Dong 收藏  |  浏览/下载：9/0  |  提交时间：2017/12/03 amino acids  asymmetric catalysis  C-H activation  density functional calculations  enantioselectivity  mass spectrometry  MOBILITY-MASS-SPECTROMETRY  CARBON-HYDROGEN BONDS  CATALYZED INTRAMOLECULAR ARYLATION  PROTON-ABSTRACTION MECHANISM  AB-INITIO PSEUDOPOTENTIALS  MOLECULAR-ORBITAL METHODS  EFFECTIVE CORE POTENTIALS  ALPHA-AMINO-ACIDS  TRANSITION-ELEMENTS  POLARIZATION FUNCTIONS   Electrical and optical properties of warm dense beryllium along the principal Hugoniot 期刊论文 PHYSICS OF PLASMAS, 2015 Li, Chuan-Ying; Wang, Cong; Wu, Ze-Qing; Li, Zi; Li, Da-Fang; Zhang, Ping 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 QUANTUM MOLECULAR-DYNAMICS  EQUATION-OF-STATE  FUNCTIONAL THEORY  CONDUCTION  MATTER  PSEUDOPOTENTIALS  SIMULATIONS  EVOLUTION  PLASMAS  MODEL   Temperature and compression effects on electron heat capacity and electron-phonon coupling in aluminum and beryllium: Insights from ab initio simulations 期刊论文 PHYSICS OF PLASMAS, 2015 Li, Zi; Wang, Cong; Kang, Wei; Li, Chuanying; Zhang, Ping 收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03 FUNCTIONAL PERTURBATION-THEORY  TRANSITION-TEMPERATURE  ENERGY RELAXATION  METAL-SURFACES  SUPERCONDUCTORS  FEMTOSECOND  PSEUDOPOTENTIALS  DEPENDENCE  PHYSICS  SOLIDS   Thermodynamic description of the AgCl-CoCl2-InCl3-KCl system 期刊论文 MATERIALS CHEMISTRY AND PHYSICS, 2015, 卷号: 163, 页码: 73—87 作者:  Wang, K;  Fei, ZJ;  Wang, J;  Wu, Z;  Li, CH 收藏  |  浏览/下载：23/0  |  提交时间：2016/03/04 QUASI-CHEMICAL MODEL  ELECTROMOTIVE-FORCE MEASUREMENTS  SILVER-CHLORIDE  AGCL-KCL  POTASSIUM-CHLORIDE  HALIDE MIXTURES  SALT SYSTEMS  OPTIMIZATION  TRICHLORIDE  PSEUDOPOTENTIALS   Structural phase transitions in Bi2Se3 under high pressure 期刊论文 SCIENTIFIC REPORTS, 2015, 卷号: 5, 页码: — 作者:  Yu, ZH;  Wang, L;  Hu, QY;  Zhao, JG;  Yan, S 收藏  |  浏览/下载：28/0  |  提交时间：2016/03/04 AUGMENTED-WAVE METHOD  SINGLE DIRAC CONE  TOPOLOGICAL INSULATORS  BI2TE3  SB2TE3  SURFACE  PSEUDOPOTENTIALS  ENERGY  RAMAN   Magic-Number Gold Nanoclusters with Diameters from 1 to 3.5 nm: Relative Stability and Catalytic Activity for CO Oxidation 期刊论文 NANO LETTERS, 2015, 卷号: 15, 期号: 1, 页码: 682—688 作者:  Li, H;  Li, L;  Pedersen, A;  Gao, Y;  Khetrapal, N 收藏  |  浏览/下载：22/0  |  提交时间：2015/12/09 SPACE GAUSSIAN PSEUDOPOTENTIALS  LOW-SYMMETRY STRUCTURES  SUPPORTED AU CATALYSTS  STRUCTURAL EVOLUTION  THEORETICAL CHEMISTRY  SYNCHRONOUS-TRANSIT  SELECTIVE OXIDATION  ATOMIC STRUCTURES  COMBINING THEORY  GAS-PHASE   Sequestering uranium from UO2(CO3)(3)(4-) in seawater with amine ligands: density functional theory calculations 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 22, 页码: 14662—14673 作者:  Guo, XJ;  Huang, LL;  Li, C;  Hu, JT;  Wu, GZ 收藏  |  浏览/下载：15/0  |  提交时间：2015/12/09 RETENTION PROPERTIES  HEAVY-METALS  POLYETHYLENEIMINE SUPPORTS  SEA-WATER  PARAMETER SETS  RESINS  RECOVERY  AMIDOXIME  ENERGY  PSEUDOPOTENTIALS   Optimum complexation of uranyl with amidoxime in aqueous solution under different pH levels: density functional theory calculations 期刊论文 MOLECULAR PHYSICS, 2015, 卷号: 113, 期号: 11, 页码: 1327—1336 作者:  Guo, XJ;  Wang, YX;  Li, C;  Huai, P;  Wu, GZ 收藏  |  浏览/下载：16/0  |  提交时间：2015/12/09 SEA-WATER  POLYMERIC ADSORBENT  PARAMETER SETS  PACKED-BED  URANIUM  SEAWATER  ADSORPTION  PSEUDOPOTENTIALS  EXTRACTION  RECOVERY