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Updated: May 26, 2025

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

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从分子流体结构预测粗粒度分子动力学的虚假加速

Saeed Momeni Bashusqeh1, Manisha Dhillayan1, Florian Müller-Plathe1

  • 1Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technical University of Darmstadt, Darmstadt 64287, Germany.

The journal of physical chemistry. B
|February 22, 2025
PubMed
概括

预测分子在粗粒度模拟中移动的速度是棘手的. 这项研究开发了一种工具来估计移动加速因子,提高分子动力学模拟的准确性.

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