封面：甜菜碱离子液体的分子动力学模拟：缩放和满电荷模型的比较研究（chemphysichem 15/2025）

IF 2.2 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemphyschem Pub Date : 2025-08-04 DOI:10.1002/cphc.70060

Sonia Yadav, Anurag Prakash Sunda

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引用次数: 0

摘要

封面展示了分子动力学模拟如何揭示部分原子电荷对甜菜碱基生物相容性离子液体输运性质的影响，空间密度图说明了[C4BET]阳离子的季铵头部和尾部酯基对阴离子分布的重要性。更多信息可以在S. Yadav和A. P. Sunda的研究文章中找到（DOI: 10.1002/cphc.202500139）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Front Cover: Molecular Dynamics Simulations of Betaine-Based Ionic Liquids: A Comparative Study of Scaled Versus Full Charge Model (ChemPhysChem 15/2025)

查看原文本刊更多论文

Front Cover: Molecular Dynamics Simulations of Betaine-Based Ionic Liquids: A Comparative Study of Scaled Versus Full Charge Model (ChemPhysChem 15/2025)

The Front Cover shows how molecular dynamics simulations reveal the influence of partial atomic charges on transport properties in betaine-based biocompatible ionic liquids, and spatial density maps illustrate the significance of the quaternary ammonium head and ester group in the tail of [C4BET] cations for the anion distribution. More information can be found in the Research Article by S. Yadav and A. P. Sunda (DOI: 10.1002/cphc.202500139).

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来源期刊

Chemphyschem 化学-物理：原子、分子和化学物理

CiteScore

4.60

自引率

3.40%

发文量

425

审稿时长

1.1 months

期刊介绍： ChemPhysChem is one of the leading chemistry/physics interdisciplinary journals (ISI Impact Factor 2018: 3.077) for physical chemistry and chemical physics. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies. ChemPhysChem is an international source for important primary and critical secondary information across the whole field of physical chemistry and chemical physics. It integrates this wide and flourishing field ranging from Solid State and Soft-Matter Research, Electro- and Photochemistry, Femtochemistry and Nanotechnology, Complex Systems, Single-Molecule Research, Clusters and Colloids, Catalysis and Surface Science, Biophysics and Physical Biochemistry, Atmospheric and Environmental Chemistry, and many more topics. ChemPhysChem is peer-reviewed.