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Updated: Jan 10, 2026

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

Published on: January 25, 2020

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现场驱动的模拟,以证明离子对应关系对二进制,三进制和相反四进制水性电解质中的溶液输送系数的影响

Nico Marioni1, Akhila Rajesh1, Zidan Zhang1

  • 1McKetta Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States.

Journal of chemical theory and computation
|November 20, 2025
PubMed
概括

我们开发了一种新的模拟方法来研究混合盐溶液中的离子行为. 这种方法准确地预测了传输特性,揭示了静态离子配对和动态离子相关性之间的关键差异.

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