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Ab initio molecular dynamics simulations of molten lead oxyhalides Pb3O2X2 (X = Cl, Br, I)
Physics and Chemistry of Liquids ( IF 1.2 ) Pub Date : 2020-02-02 , DOI: 10.1080/00319104.2020.1723095
Dmitry Zakiryanov 1 , Nikolai Tkachev 1
Affiliation  

An examination of the molecular dynamics of molten lead oxyhalides Pb3O2X2 (X = Cl, Br, I) in terms of melt densities and subsequent constant volume runs was carried out at 973 K on the basis of de...

中文翻译:

熔融卤氧化铅 Pb3O2X2 (X = Cl, Br, I) 的从头算分子动力学模拟

根据熔体密度和随后的恒定体积运行,对熔融卤氧化铅 Pb3O2X2 (X = Cl, Br, I) 的分子动力学进行了检查,该实验是在 973 K 的基础上进行的。
更新日期:2020-02-02
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