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  5. Effect of Solute Polarity on Interfacial Solvation:a Molecular Dynamics Study

Effect of Solute Polarity on Interfacial Solvation:a Molecular Dynamics Study

来源 :2019中国化学会第十五届全国计算(机)化学学术会议 | 被引量 : 0次 | 上传用户：chl1220
【摘 要】
：
The solvation structure and dynamics of organic molecules at liquid-solid interfaces have great implications in chromatography and heterogeneous catalysis.
【作 者】
：
Kezhou Ren Shule Liu 
【机 构】
：
School of Materials Science and Engineering and Key Laboratory for Polymeric Composite and Functiona
【出 处】
：
2019中国化学会第十五届全国计算(机)化学学术会议
【发表日期】
：
2019年3期
【关键词】
：
Molecular Dynamics Umbrella sampling Methanol-Silica Interface Interfacial Solva 
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　　The solvation structure and dynamics of organic molecules at liquid-solid interfaces have great implications in chromatography and heterogeneous catalysis.
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