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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
Experimental and Theoretical Interpretation on the Magnetic Behavior in a Series of Pentagonal-Bipyramidal Dy-III Single-Ion Magnets 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2017, 卷号: 23, 期号: 70, 页码: 17775-17787
作者:  Li, Min;  Wu, Haipeng;  Yang, Qi;  Ke, Hongshan;  Yin, Bing
收藏  |  浏览/下载：29/0  |  提交时间：2019/06/20
Construction of diabatic energy surfaces for LiFH with artificial neural networks 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 147, 期号: 22
作者:  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：24/0  |  提交时间：2019/06/20
A DFT/TDDFT Investigation of Excited State Dynamical Mechanism of (E)-1-((2,2-Diphenylhydrazono)methyl)naphthalen-2-ol 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2017, 卷号: 64, 期号: 12, 页码: 1385-1391
作者:  Yang, Dapeng;  Wu, Jingyuan;  Jia, Min;  Song, Xiaoyan
收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20
Synthesis of Cr2AlC thin films by reactive magnetron sputtering 期刊论文
FUSION ENGINEERING AND DESIGN, 2017, 卷号: 125, 页码: 562-566
作者:  Su, Ranran;  Zhang, Hongliang;  Meng, Xiangpeng;  Shi, Liqun;  Liu, Chaozhuo
收藏  |  浏览/下载：29/0  |  提交时间：2018/05/31
CALPHAD modeling of metastable phases and ternary compounds in Ti-Al-N system 期刊论文
PERGAMON-ELSEVIER SCIENCE LTD, 2017, 卷号: 59, 页码: 142-153
作者:  Zhang, Yanhui;  Franke, Peter;  Seifert, Hans Juergen;  Zhang, YH (reprint author), Chinese Acad Sci, High Performance Ceram Div, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.;  Zhang, YH (reprint author), Karlsruhe Inst Technol, Inst Appl Mat Appl Mat Phys IAM AWP, Hermann von Helmholtz Pl 1, D-76344 Eggenstein Leopoldshafen, Germany.
收藏  |  浏览/下载：179/0  |  提交时间：2018/01/10
Ab initio calculation of helium behavior in the spallation tungsten 期刊论文
Fusion engineering and design, 2017, 卷号: 125, 页码: 479-483
作者:  Yin, Wen;  Liang, Tairan;  Yu, Quanzhi;  Jia, Xuejun
收藏  |  浏览/下载：28/0  |  提交时间：2019/04/23
Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, and Raman Spectra 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 47, 页码: 9146-9155
作者:  Zhou, Yongquan;  Yoshida, Koji;  Yamaguchi, Toshio;  Liu, Hongyan;  Fang, Chunhui
收藏  |  浏览/下载：18/0  |  提交时间：2018/06/20
Nonconventional Hydrogen Bonds between Silver Anion and Nucleobases: Size-Selected Anion Photoelectron Spectroscopy and Density Functional Calculations 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017, 卷号: 121, 期号: 46, 页码: 8973-8981
作者:  Wang, Peng;  Xu, Hong-Guang;  Cao, Guo-Jin;  Zhang, Wen-Jing;  Xu, Xi-Ling
收藏  |  浏览/下载：11/0  |  提交时间：2019/06/20
Substrate-Dependent Two-State Reactivity in Iron-Catalyzed Alkene [2+2] Cycloaddition Reactions 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 139, 期号: 44, 页码: 15564-15567
作者:  Hu, Lianrui;  Chen, Hui
收藏  |  浏览/下载：18/0  |  提交时间：2018/04/25

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