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Updated: May 23, 2025

In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging
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Published on: September 2, 2016

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使用扩散蒙特卡洛红外线强度的评估

Pattarapon Moonkaen1, Anne B McCoy1

  • 1Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.

The journal of physical chemistry. A
|March 7, 2025
PubMed
概括

本研究探讨了扩散蒙特卡洛 (DMC) 方法来计算分子激发状态. 下行权衡方法为兴奋状态能量和强度提供了更高的准确性,但在计算上是密集的.

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