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Charge carrier transport dynamics in W/Mo-doped BiVO4: first principles-based mesoscale characterization 期刊论文
JOURNAL OF MATERIALS CHEMISTRY A, 2019, 卷号: 7, 期号: 7, 页码: 3054-3065
Authors:  Pasumarthi, Viswanath;  Liu, Taifeng;  Dupuis, Michel;  Li, Can
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The Sommerfeld ground-wave limit for a molecule adsorbed at a surface 期刊论文
SCIENCE, 2019, 卷号: 363, 期号: 6423, 页码: 158-+
Authors:  Chen, Li;  Lau, Jascha A.;  Schwarzer, Dirk;  Meyer, Jorg;  Verma, Varun B.;  Wodtke, Alec M.
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Structures and stability of adsorbed methanol on TiO2 (110) surface studied by ab initio thermodynamics and kinetic Monte Carlo simulation 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 10, 页码: 8
Authors:  Sun, Keju;  Su, Hai-Yan;  Li, Wei-Xue
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Methanol adsorption  TiO2 (110) surface  Ab initio thermodynamics  Kinetic Monte Carlo  Temperature-programmed desorption simulation  
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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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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CO- and NO-Induced Disintegration and Redispersion of Three-Way Catalysts Rhodium; Palladium; and Platinum: An ab Initio Thermodynamics Study 期刊论文
Journal of Physical Chemistry C, 2014, 卷号: 118, 期号: 1, 页码: 9588
Authors:  BryanR.Goldsmith;  EvanD.Sanderson;  RunhaiOuyang;  Li WX(李微雪)
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Progress of nanoscience in China 期刊论文
Frontiers of Physics, 2014, 卷号: 9, 期号: 3, 页码: 257
Authors:  Yu-LiangZhao;  Yan-LinSong;  Wei-GuoSong;  WeiLiang;  Xing-YuJiang;  Zhi-YongTang;  Hong-XingXu;  Zhi-XiangWei;  Yun-QiLiu;  Ming-HuaLiu;  LeiJiang;  Bao XH(包信和);  Li-JunWan;  Chun-LiBai
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State‑to‑state quantum versus classical dynamics study of the OH + CO → H + CO2 reaction in full dimensions (J = 0): checking the validity of the quasi‑classical trajectory method 期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2014, 卷号: 133, 期号: 10, 页码: 1558
Authors:  Liu S(刘舒);  Chen J(陈俊);  Fu BN(傅碧娜);  Zhang DH(张东辉)
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Efficient Fourth-Order Split Operator for Solving the Triatomic Reactive Schrodinger Equation in the Time-Dependent Wavepacket Approach 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 期号: 42, 页码: 9801-9810
Authors:  Li, Wentao;  Zhang, Dong H.;  Sun, Zhigang;  Sun ZG(孙志刚)
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