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CORC

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Structural, electronic, and thermodynamic properties of curium dioxide: density functional theory calculations 期刊论文
Physical review b, 2017, 卷号: 96, 期号: 23, 页码: 13
作者:  Hou, Ling;  Li, Wei-Dong;  Wang, Fangwei;  Eriksson, Olle;  Wang, Bao-Tian
收藏  |  浏览/下载：33/0  |  提交时间：2019/04/23
Li-decorated β12-borophene as potential candidates for hydrogen storage: A first-principle study 期刊论文
Materials, 2017, 卷号: 10, 期号: 12
作者:  Liu, Tingting;  Chen, Yuhong;  Wang, Haifeng;  Zhang, Meiling;  Yuan, Lihua
收藏  |  浏览/下载：3/0  |  提交时间：2020/11/14
Structural, electronic, and elastic properties of equiatomic uzr alloys from first-principles 期刊论文
Journal of nuclear materials, 2017, 卷号: 496, 页码: 333-342
作者:  Zhang, Cheng-Bin;  Li, Xiu-Ping;  Li, Wei-Dong;  Zhang, Ping;  Yin, Wen
收藏  |  浏览/下载：28/0  |  提交时间：2019/04/23
How Well Can Implicit Solvent Simulations Explore Folding Pathways? A Quantitative Analysis of alpha-Helix Bundle Proteins 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 12, 页码: 6177-6190
作者:  Shao, Qiang;  Zhu, Weiliang
收藏  |  浏览/下载：11/0  |  提交时间：2019/01/08
Li-Decorated (12)-Borophene as Potential Candidates for Hydrogen Storage: A First-Principle Study 期刊论文
MATERIALS, 2017, 卷号: 10, 期号: 12
作者:  Liu, Tingting;  Chen, Yuhong;  Wang, Haifeng;  Zhang, Meiling;  Yuan, Lihua
收藏  |  浏览/下载：10/0  |  提交时间：2019/11/15
Intrinsic Charge Transport in Stanene: Roles of Bucklings and Electron-Phonon Couplings 期刊论文
ADVANCED ELECTRONIC MATERIALS, 2017, 卷号: 3, 期号: 11
作者:  Nakamura, Yuma;  Zhao, Tianqi;  Xi, Jinyang;  Shi, Wen;  Wang, Dong
收藏  |  浏览/下载：32/0  |  提交时间：2019/04/09
A new Ca3MgSi2O8 compound and some of its thermodynamic properties 期刊论文
JOURNAL OF SOLID STATE CHEMISTRY, 2017, 卷号: 255, 页码: 145-149
作者:  Bao, Xinjian;  Zhang, Yanyao;  Zhang, Zhigang;  Zhang, Lifei;  Liu, Xiaoyang
收藏  |  浏览/下载：24/0  |  提交时间：2017/11/24
Adsorption properties of oxygen atom on the surface of Ti2AlNb by first principles calculations 期刊论文
ELSEVIER SCIENCE BV, 2017, 卷号: 139, 页码: 412-418
作者:  Li, Yue;  Dai, Jianhong;  Song, Yan;  Yang, Rui;  Song, Y (reprint author), Harbin Inst Technol Weihai, Sch Mat Sci & Engn, 2 West Wenhua Rd, Weihai 264209, Peoples R China.
收藏  |  浏览/下载：20/0  |  提交时间：2018/01/10
Theoretical investigation on the high-pressure physical properties of ZnN in cubic zinc blende, rock salt, and cesium chloride structures 期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2017, 卷号: 110, 页码: 70-75
作者:  Tian, J. H.;  Song, T.;  Sun, X. W.;  Wang, T.;  Jiang, G.
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/15
Enhanced optical absorption and photocatalytic activity of anatase TiO2 through C-Nd-codoped: A DFT plus U calculations 期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2017, 卷号: 109, 页码: 70-77
作者:  Shi, Hailong;  Lin, Yanming;  Jiang, Zhenyi;  Su, Yunlong;  Ding, Xu
收藏  |  浏览/下载：19/0  |  提交时间：2018/05/31

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