Molecular Modeling of Ionic Liquids: Force‐Field Validation and Thermodynamic Perspective from Large‐Scale Fast‐Growth Solvation Free Energy Calculations-Reference-Cited by-同舟云学术

Molecular Modeling of Ionic Liquids: Force‐Field Validation and Thermodynamic Perspective from Large‐Scale Fast‐Growth Solvation Free Energy Calculations

Published:2022-06-30 Issue:9 Volume:5 Page:2200274
ISSN:2513-0390
Container-title:Advanced Theory and Simulations
language:en
Short-container-title:Advcd Theory and Sims

Author:

Sun Zhaoxi¹^ORCID,Wang Mao²,He Qiaole³,Liu Zhirong¹

Affiliation:

1. Beijing National Laboratory for Molecular Sciences College of Chemistry and Molecular Engineering Peking University Beijing 100871 China

2. NCS Testing Technology Co., Ltd. No. 13, Gaoliangqiao Xiejie Beijing 100081 China

3. AI Department of Enzymaster (Ningbo) Bio‐Engineering Co., Ltd. North Century Avenue 333 Ningbo 315100 China

Funder

National Natural Science Foundation of China

Natural Science Foundation of Beijing Municipality

Publisher

Wiley

Subject

Multidisciplinary,Modeling and Simulation,Numerical Analysis,Statistics and Probability

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/adts.202200274

Reference105 articles.

1. Toxicity and biodegradability of imidazolium ionic liquids

2. Ionic liquids as a tool for determination of metals and organic compounds in food analysis

3. Solubility of Metal Oxides in Deep Eutectic Solvents Based on Choline Chloride

4. Separation of aromatic hydrocarbons from alkanes using the ionic liquid 1-ethyl-3-methylimidazoliumbis{(trifluoromethyl) sulfonyl}amide

5. Liquid−Liquid Equilibria for Toluene + Heptane + 1-Ethyl-3-methylimidazolium Triiodide and Toluene + Heptane + 1-Butyl-3-methylimidazolium Triiodide

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