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| First-principles study of point defects in solar cell semiconductor CuI 期刊论文
Physica B-Condensed Matter, 2013, 卷号: 413, 页码: 116-119
作者: H. Chen; C. Y. Wang; J. T. Wang; Y. Wu; S. X. Zhou
  收藏 | 浏览/下载：108/0 | 提交时间：2013/12/24
Cui Semiconductor Point Defects First-principles Structural-properties Optical-properties Pressure Cubr Cucl Halides Density Films |
| The Role of Palladium Dynamics in the Surface Catalysis of Coupling Reactions 期刊论文
Angewandte Chemie-International Edition, 2013, 卷号: 52, 期号: 7, 页码: 2114-2117
作者: L. D. Shao; B. S. Zhang; W. Zhang; S. Y. Hong; R. Schlogl; D. S. Su
收藏 | 浏览/下载：142/0 | 提交时间：2013/12/24
Carbon Nanotubes Coupling Reactions Nanoparticles Palladium Surface Catalysis Suzuki-miyaura Reaction Heck Reaction Pd Nanoparticles Aryl Halides Chemistry Zeolites |
| Thermoelastic parameter alpha K-T of sodium chloride at high pressure and high temperature 期刊论文
Journal of Physics and Chemistry of Solids, 2012, 卷号: 73, 期号: 8, 页码: 992-998
作者: X. W. Sun; X. R. Chen; J. Zhu; Q. F. Chen; L. C. Cai; F. Q. Jing
收藏 | 浏览/下载：101/0 | 提交时间：2013/02/05
Inorganic Compounds Ab Initio Calculations High Pressure Thermodynamic Properties Molecular-dynamics Simulation Density-functional Theory Equation-of-state Alkali-halides Thermodynamic Properties Elevated-temperatures Thermal Expansivity Bulk Modulus Ionic Solids Nacl |
| Combined Effects of Functional Cation and Anion on the Reversible Dehydrogenation of LiBH(4) 期刊论文
Journal of Physical Chemistry C, 2011, 卷号: 115, 期号: 23, 页码: 11839-11845
作者: Z. Z. Fang; X. D. Kang; Z. X. Yang; G. S. Walker; P. Wang
Adobe PDF(978Kb) | 收藏 | 浏览/下载：178/0 | 提交时间：2012/04/13
Hydrogen-storage Materials Complex Hydrides Lithium Borohydrides Metal Borohydrides Stability Carbon Composites Desorption Additives Halides |
| Spin Hamiltonian parameters and local structures for tetragonal and orthorhombic Ir(2+) centers in AgCl 期刊论文
Philosophical Magazine, 2010, 卷号: 90, 期号: 11, 页码: 1391-1400
作者: Y. X. Hu; S. Y. Wu; X. F. Wang
Adobe PDF(149Kb) | 收藏 | 浏览/下载：95/0 | 提交时间：2012/04/13
Electron Paramagnetic Resonance Crystal And Spin Hamiltonians Ir(2+) Agcl Transition-metal Ions Epr Spectroscopic Investigations Atomic Screening Constants Silver-chloride Superposition Model Magnetic-resonance Scf Functions Halides Microcrystals Complexes |
| Theoretical study of the electron paramagnetic resonance parameters and local structure for the tetragonal Ir(2+) centre in NaCl 期刊论文
Pramana-Journal of Physics, 2010, 卷号: 74, 期号: 4, 页码: 643-651
作者: Y. X. Hu; S. Y. Wu; X. F. Wang; P. Xu
Adobe PDF(143Kb) | 收藏 | 浏览/下载：108/0 | 提交时间：2012/04/13
Electron Paramagnetic Resonance Crystal- And ligAnd-field Theory Ir(2+) Nacl Transition-metal Ions Epr Spectroscopic Investigations Atomic Screening Constants Nuclear Double-resonance Magnetic-resonance Superposition Model Silver-halides Spin-resonance Scf Functions Complexes |
| Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl(6))(4-) coordination complex in MCl:V(2+) (M=Na, K, Rb) systems 期刊论文
Chinese Physics B, 2009, 卷号: 18, 期号: 4, 页码: 1586-1593
作者: L. Qi; X. Y. Kuang; R. P. Chai; M. L. Duan; C. X. Zhang
Adobe PDF(335Kb) | 收藏 | 浏览/下载：86/0 | 提交时间：2012/04/13
Complete Energy Matrix Epr Parameters (Vcl(6))(4-) Coordination Complex Local Structure Doped Alkali-halides Lattice Structure Ground-state Epr-spectra Crystals Field Ions Mn2++ Temperature Fe-3++ |
| Defect model and spin-Hamiltonian parameters for the tetragonal Mo(5+) and W(5+) centers in Cs(2)ZrCI(6) and Cs(2)HfCI(6) crystals 期刊论文
Philosophical Magazine, 2009, 卷号: 89, 期号: 20, 页码: 1621-1628
作者: W. C. Zheng; Y. Mei; W. Q. Yang
Adobe PDF(135Kb) | 收藏 | 浏览/下载：139/0 | 提交时间：2012/04/13
Mo(5+) w(5+) Crystal Field Defect Structures Electron Paramagnetic Resonance Inorganic Materials Spectroscopy Atomic Screening Constants Single-crystals Up-conversion Scf Functions Transition Ions Excitation Complexes Spectrum Halides |
| Characterization of the High-Pressure Structural Transition and Thermodynamic Properties in Sodium Chloride: A Computational Investigation on the Basis of the Density Functional Theory 期刊论文
Journal of Physical Chemistry B, 2008, 卷号: 112, 期号: 44, 页码: 13898-13905
作者: C. Lu; X. Y. Kuang; Q. S. Zhu
Adobe PDF(448Kb) | 收藏 | 浏览/下载：85/0 | 提交时间：2012/04/13
B1-b2 Phase-transition 1st-principles Calculations Electronic-structure High-temperatures 1st Principles Bulk Modulus Nacl Crystals Halides Energy |
| Synthesis and crystal structure of a novel tetranuclear complex P(b)4(HQ)(6)(NO3)(2) 期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2008, 卷号: 27, 期号: 3, 页码: 287-292
作者: Zhang WanZhong; Wei DeZhou; Che XiaoFei; Gao EnJun; Wang KeHua; Yin HongXi; Gu XiaoFu
收藏 | 浏览/下载：129/0 | 提交时间：2021/02/02
NITROGEN-DONOR MACROCYCLE COORDINATION GEOMETRY LONE-PAIR LEAD(II) STEREOCHEMISTRY BISMUTH(III) ISOMERS LIGANDS HALIDES RADII Pb(II) complex X-ray structure luminescent property |
