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Oxygen vacancy mediated La1-xCexFeO3-delta perovskite oxides as efficient catalysts for CWAO of acrylic acid by A-site Ce doping 期刊论文
APPLIED CATALYSIS B-ENVIRONMENTAL, 2019, 卷号: 245, 页码: 20-28
Authors:  Sun, Wenjing;  Wei, Huangzhao;  An, Lu Yang;  Jin, Chengyu;  Wu, Huiling;  Xiong, Zi-ang;  Pu, Chunying;  Sun, Chenglin
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Catalytic wet air oxidation  La1-xCexFeO3-delta  Synergistic mechanism  Generalized kinetic model  First-principles calculations  
An approximate full-dimensional quantum dynamics study of the mode specificity in the dissociative chemisorption of D2O on rigid Cu(111) 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 页码: 11960-11967
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
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H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 8, 页码: 084107
Authors:  Su NQ(苏乃强);  Chen J(陈俊);  Sun ZG(孙志刚);  Zhang DH(张东辉);  Xu X(徐昕)
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A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 20, 页码: 204302
Authors:  Li, Jun;  Chen, Jun;  Zhao, Zhiqiang;  Xie, Daiqian;  Zhang, Dong H.;  Guo, Hua;  Li J(李军);  Zhang DH(张东辉)
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Inorganic microporous membranes for H2 and CO2 separation-Review of experimental and modeling progress 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2015, 卷号: 127, 期号: 1, 页码: 401
Authors:  Li H(李慧);  K.Haas-Santo;  U.Schygulla;  R.Dittmeyer
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Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111); Pt(111); and Ni(111) 期刊论文
Journal of Physical Chemistry C, 2015, 卷号: 118, 期号: 1, 页码: 12364
Authors:  ZebC.Kramer;  Xiang-KuiGu;  DingyuD.Y.Zhou;  Li WX(李微雪);  RexT.Skodje
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Theoretical and experimental investigations on single atom catalysis: Ir-1/FeOx for CO oxidation 期刊论文
Journal of Physical Chemistry C, 2014, 卷号: 118, 期号: 1, 页码: 21945
Authors:  J.X.Liang;  J.Lin;  X.F.Yang;  A.Q.Wang;  B.T.Qiao;  Liu JY(刘景月);  Zhang T(张涛);  J.Li;  Li J(李隽)
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Chapter 9 Simulating the Peptide Folding Kinetic Related Spectra Based on the Markov State Model 期刊论文
Advances in Experimental Medicine and Biology, 2014, 卷号: 805, 期号: 1, 页码: 199
Authors:  Song J(宋建);  Zhuang W(庄巍)
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Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen‑M (M = Co; Al; Zn) 期刊论文
Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 1, 页码: 9239
Authors:  Wang TT(王婷婷);  Xie Y(谢勇);  Deng WQ(邓伟侨)
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Quantum dynamics study of H + DBr and D + HBr reaction 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 1, 页码: 2367
Authors:  Zhang AJ(张爱杰);  JianFengJia;  HaiShunWu;  He GZ(何国钟)
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