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Chabazite Architecture Dominates the Structure of SAPO-34's Surface Methoxy Species 期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 8, 页码: 2104-2109
Authors:  Zang, Kailu;  Zhang, Wenna;  Huang, Jindou;  Feng, Pei
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Zeolites  Reaction intermediates  Density functional theory  Methanol-to-olefins  SAPO-34  Surface methoxy species  Chabazite architecture  Steric hindrance  
Chemical effect of NO on CH4 oxidation during combustion in O-2/NO environments 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 727, 页码: 59-65
Authors:  Liu, Yalan;  Zhang, Xuexiang;  Ding, Junxia
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Methane  Oxidation  Nitric oxide  Reactive molecular dynamics  Kinetic behavior  
The Influence of Sodium Iodide Salt on the Interfacial Properties of Aqueous Methanol Solution by a Combined Molecular Simulation and Sum Frequency Generation Vibrational Spectroscopy Study 期刊论文
LANGMUIR, 2019, 卷号: 35, 期号: 21, 页码: 7050-7059
Authors:  Liu, Jianchuan;  Li, Xia;  Hou, Jian;  Li, Xun;  Lu, Zhou
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Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976
Authors:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui
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Synergy of Single-Atom Ni-1 and Ru-1 Sites on CeO2 for Dry Reforming of CH4 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2019, 卷号: 141, 期号: 18, 页码: 7283-7293
Authors:  Tang, Yu;  Wei, Yuechang;  Wang, Ziyun;  Zhang, Shiran;  Li, Yuting;  Nguyen, Luan;  Li, Yixiao;  Zhou, Yan;  Shen, Wenjie;  Tao, Franklin Feng;  Hu, Peijun
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Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 17, 页码: 3703-3708
Authors:  Yang, Dong;  Kong, Xiangtao;  Zheng, Huijun;  Su, Mingzhi;  Zhao, Zhi;  Xie, Hua;  Fan, Hongjun;  Zhang, Weiqing;  Jiang, Ling
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Size-Dependent Formation of an Ion Pair in HSO4-(H2O)(n): A Molecular Model for Probing the Microsolvation of Acid Dissociation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2019, 卷号: 10, 期号: 9, 页码: 2162-2169
Authors:  Li, Huiyan;  Kong, Xiangtao;  Jiang, Ling;  Liu, Zhi-Feng
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Acetaldehyde polymerization on Co(0001): the role of CO 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 16, 页码: 8275-8281
Authors:  Chen, Jun;  Guo, Qing;  Wu, Jiawei;  Dai, Dongxu;  Chen, Maodu;  Yang, Xueming
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Theoretical study of the formation mechanism of sulfur-containing gases in the CO2 gasification of lignite 期刊论文
FUEL, 2019, 卷号: 242, 页码: 398-407
Authors:  Chen, Shi-Yun;  Ding, Jun-Xia;  Li, Guang-Yue;  Wang, Jie-Ping;  Tian, Yan;  Liang, Ying-Hua
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Gasification  Lignite  Mechanism  Sulfur  ReaxFF  
Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS[SKLMRD-K201801] 项目
项目编号: SKLMRD-K201801, 资助机构: Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS, 2019-
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