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Six-dimensional quantum dynamics for the dissociative chemisorption of HCl on rigid Ag(111) on three potential energy surfaces with different density functionals 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 8
作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：30/0  |  提交时间：2019/06/20
Six-dimensional quantum dynamics for the dissociative chemisorption of hcl on rigid ag(111) on three potential energy surfaces with different density functionals 期刊论文
Journal of chemical physics, 2018, 卷号: 149, 期号: 17, 页码: 8
作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：39/0  |  提交时间：2019/05/08
Structural stability and electronic properties of the (0001) inversion domain boundary in III-nitrides 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 152-158
作者:  Li, Siqian;  Lei, Huaping;  Anglade, Pierre-Matthieu;  Chen, Jun;  Ruterana, Pierre
收藏  |  浏览/下载：44/0  |  提交时间：2019/12/20
Temperature-dependent Raman spectroscopic study of ferroelastic K2Sr(MoO4) 期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 11, 页码: 5
作者:  Zhang, Ji;  Zhang, De-Ming;  Zhang, Ran-Ran
收藏  |  浏览/下载：11/0  |  提交时间：2019/12/25
Activating Aromatic Rings as Na-Ion Storage Sites to Achieve High Capacity 期刊论文
CHEM, 2018, 卷号: 4, 期号: 10, 页码: 2463-2478
作者:  Huang, Yun-Hui;  Liu, Jianjun;  Kang, Litao;  Zeng, Rui;  Huang, Ying
收藏  |  浏览/下载：54/0  |  提交时间：2018/12/03
Temperature Dependent Micro-Structure of KAlF4 from Solid to Molten States 期刊论文
MATERIALS, 2018, 卷号: 11, 期号: 10, 页码: 12
作者:  Ma, Nan;  You, Jinglin;  Lu, Liming;  Wang, Jian;  Wan, Songming
收藏  |  浏览/下载：21/0  |  提交时间：2019/12/25
Investigation of the Electronic Structures and Optical Properties of Zinc-Blende ZnS Doped with Transition Metals From a First-Principles Method 期刊论文
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2018, 卷号: 255, 期号: 9
作者:  Lu, Xuefeng;  Lei, Qingfeng;  Gao, Xu;  Ren, Junqiang;  Guo, Xin
收藏  |  浏览/下载：15/0  |  提交时间：2019/11/15
Ab initio molecular dynamics simulation on interfacial reaction behavior of Fe-Cr-Ni stainless steel in high temperature water 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 149, 页码: 143-152
作者:  Wang, HT;  Han, EH;  Wang, HT (reprint author), Chinese Acad Sci, Inst Met Res, CAS Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载：23/0  |  提交时间：2018/06/05
A tungsten-rhenium interatomic potential for point defect studies 期刊论文
JOURNAL OF APPLIED PHYSICS, 2018, 卷号: 123, 期号: 20, 页码: 11
作者:  Setyawan, Wahyu;  Gao, Ning;  Kurtz, Richard J.
收藏  |  浏览/下载：40/0  |  提交时间：2019/10/09
A tungsten-rhenium interatomic potential for point defect studies 期刊论文
JOURNAL OF APPLIED PHYSICS, 2018, 卷号: 123, 页码: 205102
作者:  Setyawan, Wahyu;  Gao, Ning;  Kurtz, Richard J.
收藏  |  浏览/下载：17/0  |  提交时间：2018/07/16

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