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Estimation of thermodynamic properties of Cu-La binary alloy with modified Miedema's theory 期刊论文
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 90, 期号: 1, 页码: 11-17
作者:  Li, Hai-hong;  Zhang, Shi-hong;  Chen, Yan;  Cheng, Ming;  Song, Hong-wu;  Liu, Jin-song;  shzhang@imr.ac.cn
收藏  |  浏览/下载：112/0  |  提交时间：2016/04/21
Cu-la Alloy  Thermodynamics  Activity  Gibbs Free Energy  Miedema's Theory  
Covalency-Dependent Vibrational Dynamics in Two-Dimensional Titanium Carbides 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 52, 页码: 12977-12984
作者:  Hu, Tao;  Hu, Minmin;  Li, Zhaojin;  Zhang, Hui;  Zhang, Chao;  Wang, Jiemin;  Wang, Xiaohui;  wang@imr.ac.cn
收藏  |  浏览/下载：124/0  |  提交时间：2016/04/21
Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic M-2-doped Au-n (M = Ag, Cu; n=1-10) Clusters: Comparison with Pure Gold Clusters 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 卷号: 115, 期号: 5, 页码: 569-576
作者:  Zhao, Ya-Ru;  Kuang, Xiao-Yu;  Zheng, Bao-Bing;  Li, Yan-Fang;  Wang, Su-Juan
收藏  |  浏览/下载：94/0  |  提交时间：2021/02/02
Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic M(2)-doped Au(n) (M = Ag, Cu; n=1-10) Clusters: Comparison with Pure Gold Clusters 期刊论文
Journal of Physical Chemistry A, 2011, 卷号: 115, 期号: 5, 页码: 569-576
作者:  Y. R. Zhao;  X. Y. Kuang;  B. B. Zheng;  Y. F. Li;  S. J. Wang
Adobe PDF(3902Kb)  |  收藏  |  浏览/下载：141/0  |  提交时间：2012/04/13
Effective Core Potentials  Transition-metal Atoms  Density-functional  Theory  Photoelectron-spectroscopy  Molecular Calculations  Silver  Clusters  Fluorescence Spectroscopy  Polarizability  Anions  Adsorption  
Determination of Structures, Stabilities, and Electronic Properties for Bimetallic Cesium-Doped Gold Clusters: A Density Functional Theory Study 期刊论文
Journal of Physical Chemistry A, 2011, 卷号: 115, 期号: 33, 页码: 9273-9281
作者:  C. Lu;  X. Y. Kuang;  Z. W. Lu;  A. J. Mao;  Y. M. Ma
Adobe PDF(977Kb)  |  收藏  |  浏览/下载：102/0  |  提交时间：2012/04/13
Effective Core Potentials  Ab-initio  Molecular Calculations  Silver  Clusters  Csau  Transition  Geometries  Hydrogen  Auride  Au  
First-Principles Study of High-Pressure Behavior of Solid beta-HMX 期刊论文
Journal of Physical Chemistry A, 2010, 卷号: 114, 期号: 2, 页码: 1082-1092
作者:  H. L. Cui;  G. F. Ji;  X. R. Chen;  W. H. Zhu;  F. Zhao;  Y. Wen;  D. Q. Wei
Adobe PDF(1463Kb)  |  收藏  |  浏览/下载：140/0  |  提交时间：2012/04/13
Equation-of-state  Octahydro-1  Total-energy Calculations  3  Electronic-structure  5  Molecular-dynamics  7-tetranitro-1  Ab-initio  3  5  7-tetrazocine Hmx  Hydrostatic  Compression  Crystal Structure  Phase-transition  Delta-phase  
Geometries, Stabilities, and Electronic Properties of Small Anion Mg-Doped Gold Clusters: A Density Functional Theory Study 期刊论文
Journal of Physical Chemistry A, 2010, 卷号: 114, 期号: 43, 页码: 11691-11698
作者:  Y. F. Li;  X. Y. Kuang;  S. J. Wang;  Y. R. Zhao
Adobe PDF(1815Kb)  |  收藏  |  浏览/下载：85/0  |  提交时间：2012/04/13
Photoelectron-spectroscopy  Bimetallic Clusters  Optical-properties  Binary Clusters  Silver Clusters  Molecules  Metal  Chemistry  Aumg  Predictions  
Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: AunZn- (2 <= n <= 10) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 卷号: 113, 期号: 51, 页码: 14022-14028
作者:  Wang, Huai-Qian;  Kuang, Xiao-Yu;  Li, Hui-Fang
收藏  |  浏览/下载：63/0  |  提交时间：2021/02/02
Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: Au(n)Zn(-) (2 <= n <= 10) 期刊论文
Journal of Physical Chemistry A, 2009, 卷号: 113, 期号: 51, 页码: 14022-14028
作者:  H. Q. Wang;  X. Y. Kuang;  H. F. Li
Adobe PDF(1753Kb)  |  收藏  |  浏览/下载：137/0  |  提交时间：2012/04/13
Effective Core Potentials  Density-functional Calculations  Ion Mobility  Measurements  Molecular Calculations  Photoelectron-spectroscopy  Nanostructures  Transition  Oxidation  Cations  Shape  
Tetragonal distortion of structural defects in Cr3+ doped in several perovskites calculated from the EPR and optical data: A complete energy matrix study 期刊论文
Journal of Physical Chemistry A, 2008, 卷号: 112, 期号: 31, 页码: 7280-7285
作者:  A. J. Mao;  X. Y. Kuang
Adobe PDF(168Kb)  |  收藏  |  浏览/下载：88/0  |  提交时间：2012/04/13
Electron-paramagnetic-res  D3  Crystal-field Spectra  7 Ions  Spin-transition  Thermal Hysteresis  Room-temperature  Spectroscopy  Fluorides  Compound  Relaxation