Molecular modelling of ionic liquids: General guidelines on fixed-charge force fields for balanced descriptions-Reference-Cited by-同舟云学术

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Molecular modelling of ionic liquids: General guidelines on fixed-charge force fields for balanced descriptions

Published:2022-12 Issue:2 Volume:2 Page:100043
ISSN:2772-4220
Container-title:Journal of Ionic Liquids
language:en
Short-container-title:Journal of Ionic Liquids

Author:

Sun Zhaoxi^ORCID,Gong Zhihao,Zheng Lei,Kalhor Payam,Huai Zhe,Liu Zhirong

Publisher

Elsevier BV

Reference134 articles.

1. Solubility of metal oxides in deep eutectic solvents based on choline chloride;Abbott;J. Chem. Eng. Data,2006

2. Comparative analysis of solvation and selectivity in room temperature ionic liquids using the Abraham linear free energy relationship;Abraham;Green Chem,2006

3. GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers;Abraham;SoftwareX,2015

4. High-stability ionic liquids. A new class of stationary phases for gas chromatography;Anderson;Anal. Chem.,2003

5. Separation of aromatic hydrocarbons from alkanes using the ionic liquid 1-ethyl-3-methylimidazolium bis {(trifluoromethyl) sulfonyl} amide;Arce;Green Chem.,2007

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1. Chemical accuracy prediction of molecular solvation and partition in ionic liquids with educated estimators;Journal of Molecular Liquids;2023-12

2. Screening Power of End-Point Free-Energy Calculations in Cucurbituril Host–Guest Systems;Journal of Chemical Information and Modeling;2023-11-01

3. Accurate modelling of pyrrolidinium ionic liquids with charge and vdW scaling;Journal of Molecular Liquids;2023-09

4. Molecular Modeling of Water-in-Salt Electrolytes: A Comprehensive Analysis of Polarization Effects and Force Field Parameters in Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2023-08-02

5. Molecular modelling of ionic liquids: Perfluorinated anionic species with enlarged halogen substitutions;Journal of Molecular Liquids;2023-05

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