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收藏A reactive molecular dynamics study of thermal pyrolysis behavior and mechanisms of lignin during the hydrothermal process: The function of the water molecules
Jiang, Chunhe; Liang, Wang; Li, Kejiang; Barati, Mansoor; Conejo, Alberto; Guo, Peimin; Danaei, Abdolkarim; Liang, Zeng; Bu, Yushan; Zhang, Jianliang
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收藏New Insights into the Traditional Charge Compensation Theory: Amphoteric Behavior of TiO2 under the Guidance of Supply- Demand Relationship传统电荷补偿理论的新见解: 供需关系指导下的TiO2两性行为
Bi, Zhisheng; Li, Kejiang; Jiang, Chunhe; Zhang, Jianliang; Ma, Shufang; Alberto, Conejo; Sun, Minmin; Bu, Yushan; Barati, Mansoor; Ren, Shan
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收藏Thermal behaviour, kinetics and mechanisms of CO2 interactions with graphene: An atomic scale reactive molecular dynamic study
Li, Kejiang; Khanna, Rita; Zhang, Hang; Conejo, Alberto; Ma, Shufang; Liang, Zeng; Li, Guangyue; Barati, Mansoor; Zhang, Jianliang
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收藏Determination of the accuracy and reliability of molecular dynamics simulations in estimating the melting point of iron: Roles of interaction potentials and initial system configurations
Li, Kejiang; Khanna, Rita; Zhang, Jianliang; Li, Guangyue; Li, Hongtao; Jiang, Chunhe; Sun, Minmin; Wang, Ziming; Bu, Yushan; Bouhadja, Mohammed; Liu, Zhengjian; Barati, Mansoor
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