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Updated: Jul 5, 2025

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有限温度字符串由K-意味着用顺序参数作为分子晶体的集体变量进行集群采样:应用于β-CL-20和ε-CL-20之间的多态转换

Fu-de Ren1, Ying-Zhe Liu2, Ke-Wei Ding2

  • 1School of Chemical Engineering and Technology, North University of China, Taiyuan 030051, China. fdren888@126.com.

Physical chemistry chemical physics : PCCP
|January 11, 2024
PubMed
概括

了解分子晶体的多态转换是工业的关键. 这项研究揭示了CL-20的表面介导核化机制,改善了复杂相变的模拟方法.

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