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CORC

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CO Dissociation on Face-Centered Cubic and Hexagonal Close-Packed Nickel Catalysts: A First-Principles Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 卷号: 120, 期号: 43, 页码: 24895-24903
作者:  Zhang, Bing-Yan;  Liu, Jin-Xun;  Chen, Pei-Pei;  Su, Hai-Yan;  Li, Wei-Xue
收藏  |  浏览/下载：14/0  |  提交时间：2019/06/20
Influences of the confinement effect and acid strength of zeolite on the mechanisms of Methanol-to-Olefins conversion over H-ZSM-5: A theoretical study of alkenes-based cycle 期刊论文
MICROPOROUS AND MESOPOROUS MATERIALS, 2016, 卷号: 231, 页码: 216-229
作者:  Zhang, Wenna;  Chu, Yueying;  Wei, Yingxu;  Yi, Xianfeng;  Xu, Shutao
收藏  |  浏览/下载：30/0  |  提交时间：2019/06/20
DFT Studies of the Selective C-O Hydrogenolysis and Ring-Opening of Biomass-Derived Tetrahydrofurfuryl Alcohol over Rh(111) surfaces 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 卷号: 120, 期号: 34, 页码: 19124-19134
作者:  Guan, Jing;  Li, Jing;  Yu, Yifeng;  Mu, Xindong;  Chen, Aibing
收藏  |  浏览/下载：11/0  |  提交时间：2016/11/14
Influences of the confinement effect and acid strength of zeolite on the mechanisms of Methanol-to-Olefins conversion over H-ZSM-5: A theoretical study of alkenes-based cycle 期刊论文
MICROPOROUS AND MESOPOROUS MATERIALS, 2016, 卷号: 231, 页码: 216-229
作者:  Zhang, Wenna;  Chu, Yueying;  Wei, Yingxu;  Yi, Xianfeng
收藏  |  浏览/下载：25/0  |  提交时间：2016/09/05
Activation mechanisms of h-2, o-2, h2o, co2, co, ch4 and c2hx on metallic mo2c(001) as well as mo/c terminated mo2c(101) from density functional theory computations 期刊论文
Applied catalysis a-general, 2016, 卷号: 524, 页码: 223-236
作者:  Shi, Yun;  Yang, Yong;  Li, Yong-Wang;  Jiao, Haijun
收藏  |  浏览/下载：26/0  |  提交时间：2019/05/09
Co2  Co  C2hx  Ch4  H2o  Pbe-d3  Mo2c  
Tuning Catalytic Selectivity of Oxidative Catalysis through Deposition of Nonmetallic Atoms in Surface Lattice of Metal Oxide 期刊论文
ACS CATALYSIS, 2016, 卷号: 6, 期号: 7, 页码: 4218-4228
作者:  Liu, Juanjuan;  Zhang, Shiran;  Zhou, Yan;  Fung, Victor;  Nguyen, Luan
收藏  |  浏览/下载：24/0  |  提交时间：2019/06/20
Co_3O_4纳米晶催化氧化甲烷的理论研究:C–H键活化的晶面效应及活性中心(英文) 期刊论文
2016, 2016
王阳刚; 杨小峰; 胡林华; 李亚栋; 李隽; Yanggang Wang; Xiaofeng Yang; Linhua Hu; Yadong Li; Jun Li
收藏  |  浏览/下载：5/0
Theoretical study of the effect of ligand topology on Fe(IV)O and Ru(IV)O complex reactivities 期刊论文
INORGANICA CHIMICA ACTA, 2016, 卷号: 443, 页码: 235-242
作者:  Tang, Zhe;  Wang, Yi;  Cui, Xiaolei;  Yang, Ying;  Tian, Jing
收藏  |  浏览/下载：14/0  |  提交时间：2019/06/20
Detoxification of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) by cytochrome P450 enzymes: A theoretical investigation 期刊论文
Journal of Inorganic Biochemistry, 2016, 卷号: 154, 页码: 21-28
作者:  Li, Xiao-Xi;  Wang, Yong;  Zheng, Qing-Chuan;  Zhang, Hong-Xing
收藏  |  浏览/下载：21/0  |  提交时间：2016/02/02
Investigation on the effect of Na doping on structure and Li-ion kinetics of layered LiNi0.6Co0.2Mn0.2O2 cathode material 期刊论文
ELECTROCHIMICA ACTA, 2016, 卷号: 192, 期号: 2, 页码: 120-126
作者:  Huang, ZJ (Huang, Zhenjun);  Wang, ZX (Wang, Zhixing);  Jing, Q (Jing, Qun);  Guo, HJ (Guo, Huajun);  Li, XH (Li, Xinhai)
收藏  |  浏览/下载：26/0  |  提交时间：2016/12/13

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