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Structures and Absorption Optical Spectra of Silicon Cluster Si-9 via First-Principles Calculations 期刊论文
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2011, 卷号: 8, 期号: 12, 页码: 2423-2428
Authors:  Li, Zhe;  Chen, Xiang-Rong;  Lan, Jun-Qing;  Bai, Yu-Lin
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Pseudopotential Density-Functional Theory  Langevin Molecular Dynamics Annealing Technique  Time-Dependent Local Density-Functional Formalism  Silicon Cluster  
Structures, phase transition, elastic properties of SnO2 from first-principles analysis 期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 18, 页码: 3508-3513
Authors:  Zhu, Bo;  Liu, Chun-Mei;  Lv, Ming-Bang;  Chen, Xiang-Rong;  Zhu, Jun;  Ji, Guang-Fu
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Phase transition  Elastic properties  SnO2  Density functional theory  
First-principles calculations for elastic and electronic properties of ZnSnO3 under pressure 期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 4, 页码: 742-748
Authors:  Ge, Ni-Na;  Liu, Chun-Mei;  Cheng, Yan;  Chen, Xiang-Rong;  Ji, Guang-Fu
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Elastic properties  Density functional theory  Sound velocity  ZnSnO3  
First-principles calculations for elastic and electronic properties of ZnSnO3 under pressure 期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 4, 页码: 742-748
Authors:  Ge, Ni-Na;  Liu, Chun-Mei;  Cheng, Yan;  Chen, Xiang-Rong;  Ji, Guang-Fu
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Elastic properties  Density functional theory  Sound velocity  ZnSnO3  
First-principles calculations for elastic and electronic properties of ZnSnO3 under pressure 期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 4, 页码: 742-748
Authors:  Ge, Ni-Na;  Liu, Chun-Mei;  Cheng, Yan;  Chen, Xiang-Rong;  Ji, Guang-Fu
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Elastic properties  Density functional theory  Sound velocity  ZnSnO3  
The first-principles calculations for the elastic properties of Zr2Al under compression 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2011, 卷号: 509, 期号: 3, 页码: 769-774
Authors:  Yuan, Xiao-Li;  Wei, Dong-Qing;  Chen, Xiang-Rong;  Zhang, Qing-Ming;  Gong, Zi-Zheng
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Elastic properties  Electronic band structure  Density functional theory  Zr2Al  
The first-principles calculations for the elastic properties of Zr2Al under compression 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2011, 卷号: 509, 期号: 3, 页码: 769-774
Authors:  Yuan, Xiao-Li;  Wei, Dong-Qing;  Chen, Xiang-Rong;  Zhang, Qing-Ming;  Gong, Zi-Zheng
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Elastic properties  Electronic band structure  Density functional theory  Zr2Al  
Surface Corrugation in Rotational and Diffractive Scattering of O-2 from LiF (001) 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2010, 卷号: 54, 期号: 6, 页码: 1112-1120
Authors:  Xu Kai;  Chen Xiang-Rong;  Wei Dong-Qing;  Gou Qing-Quan
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molecule-surface scattering  surface corrugation  multi-configuration time-dependent Hartree method  
Structural, electronic, elastic properties and stabilities of hexagonal ZrNiAl alloy and its hydride ZrNiAlH0.67 under pressure 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2010, 卷号: 50, 期号: 1, 页码: 105-113
Authors:  Kong, B.;  Chen, X. -R.;  Cai, L. -C.;  Ji, G. -F.
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Generalized gradient approximation  ZrNiAl and ZrNiAlH0.67  Electronic structure  Elastic properties  
Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi3 (M = Zn, Cd) 期刊论文
ACTA PHYSICA POLONICA A, 2010, 卷号: 118, 期号: 4, 页码: 652-658
Authors:  Duan, M. Y.;  Tan, J. J.;  Ji, G. F.;  Chen, X.-R.;  Zhu, J.
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