修正：使用全原子分子动力学模拟对5-羟甲基糠醛在非质子溶剂和咪唑离子液体中的结构、动力学和自由能进行分析

IF 2.9 3区化学 Q3 CHEMISTRY, PHYSICAL

Physical Chemistry Chemical Physics Pub Date : 2025-01-29 DOI:10.1039/D5CP90024G

Sweta Jha and Praveenkumar Sappidi

引用次数: 0

摘要

修正了“使用全原子分子动力学模拟在非质子溶剂和咪唑离子液体中5-羟甲基糠醛的结构、动力学和自由能分析”，作者：Sweta Jha等人，物理学。化学。化学。理论物理。， 2024, 26, 28417-28430, https://doi.org/10.1039/D4CP02914C。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Correction: Structure, dynamic, and free energy analyses of 5-hydroxymethylfurfural in aprotic solvents and imidazolium ionic liquids using all-atom molecular dynamics simulations

Correction for ‘Structure, dynamic, and free energy analyses of 5-hydroxymethylfurfural in aprotic solvents and imidazolium ionic liquids using all-atom molecular dynamics simulations’ by Sweta Jha et al., Phys. Chem. Chem. Phys., 2024, 26, 28417–28430, https://doi.org/10.1039/D4CP02914C.

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来源期刊

Physical Chemistry Chemical Physics 化学-物理：原子、分子和化学物理

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.