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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
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
Catalytic properties of extraframework iron-containing species in ZSM-5 for N2O decomposition 期刊论文
journal of catalysis, 2013, 卷号: 308, 页码: 386-397
作者:  Li, Guanna;  Pidko, Evgeny A.;  Filot, Ivo A. W.;  van Santen, Rutger A.;  Li, Can
收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11
Roles of cocatalysts in semiconductor-based photocatalytic hydrogen production 期刊论文
philosophical transactions of the royal society a-mathematical physical and engineering sciences, 2013, 卷号: 371, 期号: 1996, 页码: 20110430
作者:  Yang, Jinhui;  Yan, Hongjian;  Zong, Xu;  Wen, Fuyu;  Liu, Meiying
收藏  |  浏览/下载：23/0  |  提交时间：2014/09/11
Adsorption, reduction and storage of hydrogen within ZSM-5 zeolite exchanged with various ions: A comparative theoretical study 期刊论文
microporous and mesoporous materials, 2012, 卷号: 161, 页码: 168-178
作者:  Yang, Gang;  Zhou, Lijun;  Liu, Xianchun;  Han, Xiuwen;  Bao, Xinhe
收藏  |  浏览/下载：24/0  |  提交时间：2013/10/11
Sequential adjacent Si dimer dechlorination mechanism of perchloroethylene adsorption on Si(100) with temperature evolution 期刊论文
Computational and Theoretical Chemistry, 2012, 期号: 999, 页码: 162—168
张秋菊，陈亮; Houyuan Wanga,b, Shihao Wei b, Qiuju Zhang a,⇑, Liang Chen a,⇑
收藏  |  浏览/下载：9/0  |  提交时间：2013/12/16
First-Principles Investigation of the Electronic and Conducting Properties of Oligothienoacenes and their Derivatives 期刊论文
chemistry-an asian journal, 2012, 卷号: 7, 期号: 5, 页码: 1032-1040
作者:  Huang, Jin-Dou;  Wen, Shu-Hao;  Han, Ke-Li
收藏  |  浏览/下载：15/0  |  提交时间：2013/10/11
Dynamics of resonances and barriers in the F+H2 chemical reaction 会议论文
2011 conference on molecular energy transfer, 牛津, 2011-9-11
杨学明
收藏  |  浏览/下载：7/0  |  提交时间：2013/10/10
Oxygen reduction reaction mechanism on nitrogen-doped graphene: A density functional theory study 期刊论文
journal of catalysis, 2011, 卷号: 282, 期号: 1, 页码: 183-190
作者:  Yu, Liang;  Pan, Xiulian;  Cao, Xiaoming;  Hu, P.;  Bao, Xinhe
收藏  |  浏览/下载：29/0  |  提交时间：2012/07/09
Tuning Thermodynamic Paramters of Dehydrogenation of Amidoboranes 会议论文
the 2011 hydrogen metal systems gordon research conference, 旧金山, 2011-7-17
陈萍
收藏  |  浏览/下载：13/0  |  提交时间：2012/07/09

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