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CORC

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Toward improving CO2 dissociation and conversion to methanol via CO-hydrogenation on Cu(100) surface by introducing embedded Co nanoclusters as promoters: A DFT study 期刊论文
APPLIED SURFACE SCIENCE, 2018, 卷号: 427, 页码: 837-847
作者:  Qiu, Mei;  Tao, Huilin;  Li, Yali;  Li, Yi;  Ding, Kaining
收藏  |  浏览/下载：11/0  |  提交时间：2019/11/21
Switch in Relative Stability between cis and trans 2-Butene on Pt(111) as a Function of Experimental Conditions: A Density Functional Theory Study 期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 页码: 3067-+
作者:  Li, Jinyu;  Fleurat-Lessard, Paul;  Zaera, Francisco;  Delbecq, Francoise
收藏  |  浏览/下载：6/0  |  提交时间：2019/11/21
DFT Insights into the Role of Relative Positions of Fe and N Dopants on the Structure and Properties of TiO2 期刊论文
MATERIALS, 2018, 卷号: 11
作者:  Gul, Sahar Ramin;  Khan, Matiullah;  Yi, Zeng;  Wu, Bo
收藏  |  浏览/下载：2/0  |  提交时间：2019/11/21
Insight into the Mechanism of CO Oxidation on WO3(001) Surfaces for Gas Sensing: A DFT Study 期刊论文
SENSORS, 2017, 卷号: 17
作者:  Jin, Hua;  Zhou, Hegen;  Zhang, Yongfan
收藏  |  浏览/下载：7/0  |  提交时间：2019/11/21
DFT Studies on Structure and Spectral Properties of Organoactinide Complexes of Cp(4)An and COT(2)An (Cp-=C5H5-, COT2-=C8H82-, An=U(IV), Pu(IV)) 期刊论文
CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2017, 卷号: 33, 页码: 1579-1586
作者:  Gu Jia-Fang;  Xu Ke;  Chen Wen-Kai
收藏  |  浏览/下载：11/0  |  提交时间：2019/11/21
Electronic Structures and Chemical Bonding of NbS6-/0 Clusters 期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2016, 卷号: 35, 页码: 175-184
作者:  
收藏  |  浏览/下载：2/0  |  提交时间：2019/11/21
Density functional theory and surface enhanced Raman spectroscopy studies of tautomeric hypoxanthine and its adsorption behaviors in electrochemical processes 期刊论文
ELECTROCHIMICA ACTA, 2015, 卷号: 164, 页码: 132-138
作者:  Huang, Wei;  Jiang, Jin-Zhi;  Chen, Liang;  Zhang, Bi-Qi;  Deng, Shu-Fen
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/21
DFT Study on the Electronic and Structural Properties of MoS6-/0 Clusters 期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2013, 卷号: 32, 页码: 1046-1054
作者:  Wu Ni;  Zhang Chang-Fu;  Zhou Qi;  Huang Xin;  Zhang Yong-Fan
收藏  |  浏览/下载：1/0  |  提交时间：2019/11/21
Synthesis, structures, simulated IR spectra and two-dimensional infrared correlation spectroscopy of two nitrogen-heterocyclic beta-octamolybdate supported compounds 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2013, 卷号: 1035, 页码: 462-470
作者:  Chen, Xiang-Yi;  Chen, Yi-Ping;  Chai, Feng;  Sun, Yan-Qiong;  Huang, Bi-Hua
收藏  |  浏览/下载：2/0  |  提交时间：2019/11/21
Density Functional Theory Studies on the Adsorption of CO2 on Different CaO Surfaces 期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2013, 卷号: 32, 页码: 1715-1723
作者:  Zhang Ying;  Hu Jian-Ming;  Cao Quan-Zhen;  Qiu Mei;  Li Yi
收藏  |  浏览/下载：7/0  |  提交时间：2019/11/21

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