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Enhanced desulfurization performance of polyethylene glycol membrane by incorporating metal organic framework MOF-505 期刊论文
SEPARATION AND PURIFICATION TECHNOLOGY, 2021, 卷号: 272, 页码: 10
Authors:  Shi, Wenyan;  Han, Xiaolong;  Bai, Fang;  Hua, Chao;  Cao, Xingzhong
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Mixed matrix membranes  MOF-505  Pervaporation  Desulfurization  
Catalytic oxidation of ethyl acetate over Ru-Cu bimetallic catalysts: Further insights into reaction mechanism via in situ FTIR and DFT studies 期刊论文
JOURNAL OF CATALYSIS, 2019, 卷号: 369, 页码: 482-492
Authors:  Liu, Xiaolong;  Han, Qingzhen;  Shi, Wenbo;  Zhang, Cheng;  Li, Erwei;  Zhu, Tingyu
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Oxygenated volatile organic compounds  Ethyl acetate  Catalytic oxidation  Ruthenium  Bimetallic catalysts  
Revealing the Initial Chemistry of Soot Nanoparticle Formation by ReaxFF Molecular Dynamics Simulations 期刊论文
ENERGY & FUELS, 2017, 卷号: 31, 期号: 8, 页码: 8434-8444
Authors:  Han, Song;  Li, Xiaoxia;  Nie, Fengguang;  Zheng, Mo;  Liu, Xiaolong;  Guo, Li
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RP-3高温氧化初始阶段反应机理的ReaxFF MD模拟 期刊论文
物理化学学报, 2016, 卷号: 032, 期号: 006, 页码: 1424
Authors:  刘晓龙;  李晓霞;  韩嵩;  乔显杰;  钟北京;  郭力
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ReaxFF MD模拟的物种和化学反应自动分类及可视化 期刊论文
计算机与应用化学, 2015, 期号: 5, 页码: 519-526
Authors:  韩君易;  李晓霞;  郭力;  郑默;  乔显杰;  刘晓龙;  高明杰;  张婷婷;  韩嵩
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煤热解模拟新方法—ReaxFF MD的GPU并行与化学信息学分析 期刊论文
中国科学:化学, 2015, 期号: 4, 页码: 373-382
Authors:  李晓霞;  郑默;  韩君易;  郭力;  刘晓龙;  乔显杰;  袁小龙
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Reaxff Md  Gmd-reax  Varxmd  煤热解  化学反应分析  Gpu高性能计算  反应机理  
利用ReaxFF MD方法对RP-3燃烧机理的探索 会议论文
中国化学会第一届全国燃烧化学学术会议论文摘要集, 中国四川成都, 2015-05-22
Authors:  刘晓龙;  李晓霞;  韩嵩;  韩君易;  乔显杰;  郭力
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Rp-3  燃烧  反应机理  分子模拟  Reaxff Md  
晕苯分子贫氧燃烧过程的ReaxFF MD模拟 会议论文
中国化学会第一届全国燃烧化学学术会议论文摘要集, 中国四川成都, 2015-05-22
Authors:  韩嵩;  李晓霞;  刘晓龙;  韩君易;  乔显杰;  郭力
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晕苯  燃烧  多环芳烃  碳烟  Reax Ffmd  
大规模ReaxFF MD模拟燃料燃烧机理的探索 会议论文
中国化学会第一届全国燃烧化学学术会议论文摘要集, 中国四川成都, 2015-05-22
Authors:  李晓霞;  韩嵩;  刘晓龙;  韩君易;  乔显杰;  郭力
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Rp1  Rp-3  燃烧  碳烟  反应机理  分子模拟  Reax Ff Md  
Reaction analysis and visualization of ReaxFF molecular dynamics simulations 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 卷号: 53, 期号: sep, 页码: 13-22
Authors:  Liu, Jian;  Li, Xiaoxia;  Guo, Li;  Zheng, Mo;  Han, Junyi;  Yuan, Xiaolong;  Nie, Fengguang;  Liu, Xiaolong
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Reaxff Molecular Dynamics  Large Scale Simulation  Varxmd  Chemical Reaction Analysis And Visualization  Chemical Reaction Mechanisms  Cheminformatics  Chemical Reaction Parsing  Reaction Pathway Analysis  Chemical Structure Processing