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CORC

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First—principles study of NO reduction by CO on transition metal atoms—\\doped CeO2(111) 期刊论文
Chinese Journal of Catalysis催化学报, 2015, 卷号: 35, 期号: 12, 页码: 1937
作者:  WuchenDing;  Li WX(李微雪)
收藏  |  浏览/下载：6/0  |  提交时间：2015/11/16
A First-Principles Study of Carbon–Oxygen Bond Scission in Multiatomic Molecules on Flat and Stepped Metal Surfaces 期刊论文
ChemCatChem, 2014, 卷号: 6, 期号: 1, 页码: 1755
作者:  Yong-HuiZhao;  Liu JX(刘进勋);  Su HY(苏海燕);  KejuSun;  Li WX(李微雪)
收藏  |  浏览/下载：14/0  |  提交时间：2015/11/16
Tuning the energy band-gap of crystalline gallium oxide to enhance photocatalytic water splitting: mixed-phase junctions 期刊论文
journal of materials chemistry a, 2014, 卷号: 2, 期号: 40, 页码: 17005-17014
作者:  Ju, Ming-Gang;  Wang, Xiang;  Liang, WanZhen;  Zhao, Yi;  Li, Can
收藏  |  浏览/下载：15/0  |  提交时间：2015/11/16
First-Principles Study of Methanol Oxidation into Methyl Formate on Rutile TiO2(110) 期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 34, 页码: 19859-19868
作者:  Lang, Xiufeng;  Wen, Bo;  Zhou, Chuanyao;  Ren, Zefeng;  Liu, Li-Min
收藏  |  浏览/下载：21/0  |  提交时间：2015/11/16
Single Pd Atom Embedded in CeO2(111) for NO Reduction with CO: A First-Principles Study 期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 23, 页码: 12216-12223
作者:  Ding, Wu-Chen;  Gu, Xiang-Kui;  Su, Hai-Yan;  Li, Wei-Xue
收藏  |  浏览/下载：21/0  |  提交时间：2015/11/16
Reaction pathways and free energy profiles for cholinesterase-catalyzed hydrolysis of 6-monoacetylmorphine 期刊论文
organic & biomolecular chemistry, 2014, 卷号: 12, 期号: 14, 页码: 2214-2227
作者:  Qiao, Yan;  Han, Keli;  Zhan, Chang-Guo
收藏  |  浏览/下载：15/0  |  提交时间：2015/11/16
Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC 期刊论文
journal of the american chemical society, 2013, 卷号: 135, 期号: 44, 页码: 16284-16287
作者:  Liu, Jin-Xun;  Su, Hai-Yan;  Sun, Da-Peng;  Zhang, Bing-Yan;  Li, Wei-Xue
收藏  |  浏览/下载：32/0  |  提交时间：2014/09/11
Probing Quantum Dynamics of Elementary Chemical Reactions via Accurate Potential Energy Surfaces 期刊论文
zeitschrift fur physikalische chemie-international journal of research in physical chemistry & chemical physics, 2013, 卷号: 227, 期号: 9-11, 页码: 1247-1265
作者:  Yang, Xueming;  Zhang, Dong Hui
收藏  |  浏览/下载：19/0  |  提交时间：2014/09/11
Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin 期刊论文
biochemistry, 2013, 卷号: 52, 期号: 37, 页码: 6467-6479
作者:  Qiao, Yan;  Han, Keli;  Zhan, Chang-Guo
收藏  |  浏览/下载：18/0  |  提交时间：2014/09/11
First-Principles Study of Microporous Magnets M-MOF-74 (M = Ni, Co, Fe, Mn): the Role of Metal Centers 期刊论文
Inorg. Chem., 2013, 卷号: 581, 期号: 16, 页码: 9356—9362
Chen L(陈亮); Qiuju Zhang,† Baihai Li,†,‡ and Liang Chen*,†
收藏  |  浏览/下载：23/0  |  提交时间：2013/12/16

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