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Updated: Jul 1, 2025

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强力匹配和代的博尔兹曼逆转粗粒强力场对于ZIF-8

Cecilia M S Alvares1, Rocio Semino2

  • 1ICGM, Univ. Montpellier, CNRS, ENSCM, Montpellier, France.

The Journal of chemical physics
|March 6, 2024
PubMed
概括

我们为ZIF-8等金属有机框架开发了新的粗粒度力场. 这些模型准确地捕捉了ZIF-8结构和独特的"摆动效应"阶段过渡.

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