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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  
Improved reversible hydrogen storage of LiAlH4 by nano-sized TiH2 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2013, 卷号: 38, 期号: 6, 页码: 2770-2777
Authors:  Liu, Shu-Sheng;  Li, Zhi-Bao;  Jiao, Cheng-Li;  Si, Xiao-Liang;  Yang, Li-Ni;  Zhang, Jian;  Zhou, Huai-Ying;  Huang, Feng-Lei;  Gabelica, Zelimir;  Schick, Christoph;  Sun, Li-Xian;  Xu, Fen;  Sun LX(孙立贤)
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Titanium Hydride  Alanate  Catalyst  Dehydrogenation  Regeneration  
Stability of Extraframework Iron-Containing Complexes in ZSM-5 Zeolite 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 卷号: 117, 期号: 1, 页码: 413-426
Authors:  Li, Guanna;  Pidko, Evgeny A.;  van Santen, Rutger A.;  Li, Can;  Hensen, Emiel J. M.;  Li C(李灿);  Emiel J. M. Hensen
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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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The Stability of Substituted Benzylpentazoles 期刊论文
Communications in Computational Chemistry, 2013, 卷号: 1, 期号: 2, 页码: 118
Authors:  Chen XF(陈晓芳);  Bu JH(卜建华);  Wei T(尉涛);  Lai YP(来蔚鹏);  Ge ZX(葛忠学)
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Photodissociation Dynamics of Carbonyl Sulfide in HeliumDroplets 期刊论文
物理化学学报, 2013, 卷号: 29, 期号: 9, 页码: 1886
Authors:  Zhang CM(张翠梅);  Zhang ZG(张志国);  Huang CS(黄存顺);  Zhang Q(张群);  Chen Y(陈旸)
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stereodynamics properties of the F+H(D)O (v, j) →H(D)F+O reaction on the 1A and 3A potential energy surfaces by quasi-classical trajectory: initial excitation effect (v=1-3, j=0 and v=0, j=1-3) 期刊论文
Chinese Physics B(中国期刊), 2013, 卷号: 22, 期号: 6, 页码: 063401
Authors:  赵丹;  楚天舒;  郝策
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STEREODYNAMICS, MASS EFFECT AND DOCKING FROM O(3P)+HD →OH +D AT Ecol=0:4-1.0 eV AND O(3P)+HD →OD+H AT Ecol=0:5-1.0 eV 期刊论文
Journal of Theoretical and Computational Chemistry, 2013, 卷号: 12, 期号: 1, 页码: 1250104
Authors:  赵(吴)为克
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