Localization Dynamics of Excess Electrons in Proline Solutions Revealed by Ab Initio Molecular Dynam

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：QIAOKAIIORI

【摘要】

：

We used ab initio molecular dynamics simulations combined with quantum chemical calculations to explore the electron solvation in aqueous proline solutions with an injected excess electron.

【作者】

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Xiufang Song Yuxiang Bu

【机构】

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School of Chemistry and Chemical Engineering,Shandong University,Jinan,250100

【出处】

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第十三届全国量子化学会议

【发表日期】

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2017年10期

【关键词】

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Electron solvation aqueous proline solution ab initio molecular dynamics simulat

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　　We used ab initio molecular dynamics simulations combined with quantum chemical calculations to explore the electron solvation in aqueous proline solutions with an injected excess electron.

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Localization Dynamics of Excess Electrons in Proline Solutions Revealed by Ab Initio Molecular Dynam

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