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CORC

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First-principles calculations and experiments for Ce4+ effects on structure and chemical stabilities of Zr1-xCexSiO4 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2019, 卷号: 514, 页码: 276-283
作者:  Li, Shuyang[1];  Yang, Xiaoyong[2];  Liu, Jian[3];  Zhao, Xiaofeng[4];  Hussain, Shahid[5]
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/24
A comprehensive theoretical study of structural optimization, interaction energies calculations and solvent effects between ractopamine and functional monomers in molecular imprinting polymers 期刊论文
POLYMER BULLETIN, 2018, 卷号: 75, 期号: 5, 页码: 1981-1996
作者:  Wu, Haiyan[1];  Li, Xin[2];  Meng, Suci[3];  Xu, Jicheng[4];  Zhang, Wenchi[5]
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/24
Direct Determination of Atomic Structure and Magnetic Coupling of Magnetite Twin Boundaries 期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 3, 页码: 2662-2668
作者:  Chen, Chunlin[1];  Li, Hongping[2];  Seki, Takehito[3];  Yin, Deolian[4];  Sanchez-Santolino, Gabriel[5]
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/24
Structures and energetics of point defects with charge states in zircon: A first-principles study 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 759, 页码: 60-69
作者:  Yang, Xiao-Yong[1];  Wang, Shuao[2];  Lu, Yong[3];  Bi, Peng[4];  Zhang, Ping[5]
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/24
Investigation on electronic and magnetic properties of Co and Mn in ZnO with different doping types 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2018, 卷号: 461, 页码: 1-5
作者:  Liu, Zhixiang[1];  Yuan, Xiaoming[2];  Yang, Ping[3]
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/24
Monolayer Cu2Si as a potential gas sensor for NOx and COx (x=1, 2): A first-principles study 期刊论文
SURFACE SCIENCE, 2018, 卷号: 668, 页码: 42-46
作者:  Zhu, Hao-Hao[1];  Ye, Xiao-Juan[2];  Liu, Chun-Sheng[3];  Yan, Xiao-Hong[4]
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/24
A relay identification fluorescence probe for Fe3+ and phosphate anion and its applications 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2018, 卷号: 191, 页码: 172-179
作者:  Tang, Xu[1];  Wang, Yun[2];  Han, Juan[3];  Ni, Liang[4];  Wang, Lei[5]
收藏  |  浏览/下载：11/0  |  提交时间：2019/12/24
The deposition characteristics of PAN/PPY on SiO2 substrate by density functional theory (DFT) calculations 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 462, 页码: 890-895
作者:  Yu, Xiaohui[1];  Dong, Huilong[2];  Li, Youyong[3]
收藏  |  浏览/下载：6/0  |  提交时间：2019/12/24
First-principles study of hydrogen retention and diffusion behaviors in 4H-SiC 期刊论文
SUPERLATTICES AND MICROSTRUCTURES, 2018, 卷号: 122, 页码: 362-370
作者:  Yang, Xiao-Yong[1];  Wang, Ziwei[2];  Lu, Yong[3];  Sun, Ziyi[4];  Hussain, Shahid[5]
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/24
Iron(III)porphyrin electrocatalyzed enantioselective carbon-chloride bond cleavage of hexachlorocyclohexanes (HCHs): combined experimental investigation and theoretical calculations 期刊论文
DALTON TRANSACTIONS, 2018, 卷号: 47, 期号: 33, 页码: 11470-11476
作者:  Liang, Xu[1];  Li, Minzhi[2];  Mack, John[3];  Lobb, Kevin[4];  Zhu, Weihua[5]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/24

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