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Updated: Jul 25, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Published on: April 12, 2019

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对Tapinarof-乙醇系统中存在的非共价相互作用的研究,特别强调结相互作用

Jisha Mary Thomas1,2, Renjith Thomas1,2

  • 1Department of Chemistry, St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, Kerala 686101, India.

The journal of physical chemistry. B
|June 23, 2023
PubMed
概括

这项研究揭示了tapinarof和乙醇 (EtOH) 分子之间的弱键. 密度函数理论分析证实,这些非共价相互作用对于EtOH系统的电子环境至关重要.

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