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Structural stability and Lewis acidity of tetravalent Ti, Sn, or Zr-linked interlayer-expanded zeolite COE-4: A DFT study 期刊论文
Authors:  Li, Haichao;  Wang, Juan;  Zhou, Danhong;  Tian, Dongxu;  Shi, Chuan;  Mueller, Ulrich;  Feyen, Mathias;  Gies, Hermann;  Xiao, Feng-Shou;  De Vos, Dirk;  Yokoi, Toshiyuki;  Bao, Xinhe;  Zhang, Weiping
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Lewis Acidity  Dft Calculations  Lamellar Zeolite  Interlayer-expanded Zeolite  Coe-4  
Framework Stability and Bronsted Acidity of Isomorphously Substituted Interlayer-Expanded Zeolite COE-4: A Density Functional Theory Study 期刊论文
CHEMPHYSCHEM, 2014, 卷号: 15, 期号: 8, 页码: 1700-1707
Authors:  Li, Haichao;  Zhou, Danhong;  Tian, Dongxu;  Shi, Chuan;  Mueller, Ulrich;  Feyen, Mathias;  Yilmaz, Bilge;  Gies, Hermann;  Xiao, Feng-Shou;  De Vos, Dirk;  Yokoi, Toshiyuki;  Tatsumi, Takashi;  Bao, Xinhe;  Zhang, Weiping;  WeipingZhang
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Bronsted Acidity  Density Functional Calculations  Interlayer Pore Expansion  Isomorphously Substituted Coe-4  Lamellar Zeolites  
Theoretical study on the mechanism for NH3BH3 reduction of ketones and imines 期刊论文
MOLECULAR PHYSICS, 2013, 卷号: 111, 期号: 20, 页码: 3014-3024
Authors:  Wang, Xu;  Yao, Wei;  Zhou, Danhong;  Fan, Hongjun;  Zhou DH(周丹红);  Fan HJ(樊红军)
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Reaction Mechanism  Ammonia Borane  Hydrogenation  Ketone  Amine  
DFT studies on the reaction mechanism of cross-metathesis of ethylene and 2-butylene to propylene over heterogeneous Mo/HBeta catalyst 期刊论文
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 2010, 卷号: 330, 期号: 1-2, 页码: 99-106
Authors:  Li, Xin;  Guan, Jing;  Zheng, Anmin;  Zhou, Danhong;  Han, Xiuwen;  Zhang, Weiping;  Bao, Xinhe
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Dft Calculations  Mo/hbeta Catalyst  Olefin Metathesis  Reaction Mechanism  Active Species  
Reaction Mechanism of Ethylene Aromatization over HZSM-5 Zeolite: From C4 to C6 Intermediates 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2010, 卷号: 31, 期号: 6, 页码: 645-650
Authors:  Cao Liang;  Zhou Danhong;  Xing Shuangying;  Li Xin
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Density Functional Theory  Ethylene  Aromatization  Hzsm-5 Zeolite  Reaction Mechanism  Confinement Effect  
Density Functional Theory Study on Structure of Molybdenum Carbide and Catalytic Mechanism for Methane Activation over ZSM-5 Zeolite 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2010, 卷号: 31, 期号: 4, 页码: 415-422
Authors:  Xing Shuangying;  Zhou Danhong;  Cao Liang;  Li Xin
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Density Functional Theory  Molybdenum Carbide  Zsm-5 Zeolite  Methane  Activation Energy  
Mo/ZSM-5分子筛碳化钼活性中心结构及甲烷活化机理的密度泛函理论研究 期刊论文
催化学报, 2010, 卷号: 031, 期号: 004, 页码: 415
Authors:  邢双英;  周丹红;  曹亮;  李新
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HZSM-5分子筛上乙烯芳构化过程中C4至C6中间体的反应机理 期刊论文
催化学报, 2010, 卷号: 031, 期号: 006, 页码: 645
Authors:  曹亮;  周丹红;  邢双英;  李新
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A DFT study of olefin metathesis over heterogeneous Mo/HBeta catalyst: The influence of Mo oxidation state 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 卷号: 913, 期号: 1-3, 页码: 167-172
Authors:  Li, Xin;  Guan, Jing;  Zhou, Danhong;  Li, Guohui;  Han, Xiuwen;  Zhang, Weiping;  Bao, Xinhe
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Density Functional Theory  Mo/hbeta Catalyst  Olefin Metathesis  Oxidation State  Mo Species  
The formation mechanism of Mo-methylidene species over Mo/HBeta catalysts for heterogeneous olefin metathesis: A density functional theory study 期刊论文
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 2009, 卷号: 300, 期号: 1-2, 页码: 41-47
Authors:  Guan, Jing;  Yang, Gang;  Zhou, Danhong;  Zhang, Weiping;  Liu, Xianchun;  Han, Xiuwen;  Bao, Xinhe;  Bao XH(包信和)
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Active Sites  Density Functional Calculations  Mo/hbeta Catalysts  Olefin Metathesis  Oxidation States