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The role of water in photocatalytic dissociation of methanol on rutile TiO2(110)‐\\\(1 × 1) 期刊论文
催化学报(英文版), 2014, 卷号: 35, 期号: 3, 页码: 416
Authors:  徐晨彪;  杨文绍;  郭庆;  戴东旭;  陈茂笃;  杨学明
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UNDERSTANDING THE MOLECULAR MECHANISM OF BINDING MODES OF AURORA A INHIBITORS BY LONG TIME SCALE GPU DYNAMICS 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2013, 卷号: 12, 期号: 8, 页码: 1341003
Authors:  Fu, Ting;  Wu, Xue;  Xiu, Zhilong;  Wang, Jinguang;  Yin, Liu;  Li, Guohui;  Li GH(李国辉)
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Aurora a  Molecular Dynamics Simulations  Mm-pb/gbsa  
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
Authors:  Li, Guanna;  Pidko, Evgeny A.;  Filot, Ivo A. W.;  van Santen, Rutger A.;  Li, Can;  Hensen, Emie J. M.;  Li C(李灿);  Emiel J.M. Hensen
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Fe/zsm-5  Dft Calculations  Zeolite  Reaction Mechanism  Binuclear Complexes  N2o Decomposition  Microkinetic Modeling  
Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline (NH3)3 cluster 期刊论文
Spectrochimica Acta A, 2013, 卷号: 112, 页码: 257
Authors:  Liu YH(刘宇辉);  Lan SC(兰生成);  Chun-Ran Li
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