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Updated: Mar 17, 2026

Synthesis and Characterization of Functionalized Metal-organic Frameworks
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偏差删除元动力学揭示了金属有机框架中的体积-旋转合机制

Konstantin Stracke1, Jack D Evans1

  • 1School of Physics, Chemistry and Earth Sciences, Adelaide University, North Terrace, Adelaide, South Australia 5005, Australia.

Journal of chemical theory and computation
|March 16, 2026
PubMed
概括

偏差删除元动力学通过反复探索过渡路径来增强分子模拟. 这种方法精确地回收自由能量表面,克服了复杂系统中传统技术的局限性.

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