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离子溶剂化以及相关动力学行为对于理解很多重要的物理化学过程具有重要意义.我们结合增强取样方法和量子化学计算研究离子对水团簇的结构,发现溶剂隔离离子对的形成和阴阳离子本身的性质具有较为明确的关系,基本符合"matching water affinity"的简单规律.
离子水团簇的结构和界面动力学行为研究
【摘 要】
：
离子溶剂化以及相关动力学行为对于理解很多重要的物理化学过程具有重要意义.我们结合增强取样方法和量子化学计算研究离子对水团簇的结构,发现溶剂隔离离子对的形成和阴阳离
【机 构】
：
北京大学化学与分子工程学院北京市海淀区成府路202号，100871
【出 处】
：
第十三届全国量子化学会议
【发表日期】
：
2017年6期
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