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5. Accurate Relative Energies and Binding Energies of Large Ice-Liquid Water Clusters and Periodic Stru

Accurate Relative Energies and Binding Energies of Large Ice-Liquid Water Clusters and Periodic Stru

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：kuakua01

【摘 要】

：

We computed the relative energies and binding energies of bulk ice-liquid water systems in the melting process of ice-Ih crystal with the generalized energy-based fragmentation(GEBF)approach.

【作 者】

：

Lei Zhang Wei Li Tao Fang Shuhua Li 

【机 构】

：

Institute of Theoretical and Computational Chemistry,Key Laboratory of Mesoscopic,Chemistry of MOE,S

【出 处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

【关键词】

：

ice crystal melting process relative energy binding energy generalized energy-ba 

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　　We computed the relative energies and binding energies of bulk ice-liquid water systems in the melting process of ice-Ih crystal with the generalized energy-based fragmentation(GEBF)approach.

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