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Updated: Sep 16, 2025

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

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在Reline深溶性溶剂中溶解和聚合异味药物 - - 一个组合的分子动力学模拟和DFT研究

Narges Karimi1, Maryam Heydari Dokoohaki1, Amin Reza Zolghadr1

  • 1Department of Chemistry, School of Science, Shiraz University, Shiraz 71946-84795, Iran. nargec_karimi@yahoo.com.

Physical chemistry chemical physics : PCCP
|July 8, 2025
PubMed
概括

分子动力学和DFT分析研究了在深度欧性溶剂 (DES) 中的药物溶解. 在DES中药物聚合受药物大小和分子间相互作用的影响,为药物输送系统设计提供了洞察力.

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