2023
DOI: 10.1021/acs.chemrev.3c00223
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Computer-Aided Molecular Design of Ionic Liquids as Advanced Process Media: A Review from Fundamentals to Applications

Zhen Song,
Jiahui Chen,
Jie Cheng
et al.

Abstract: The unique physicochemical properties, flexible structural tunability, and giant chemical space of ionic liquids (ILs) provide them a great opportunity to match different target properties to work as advanced process media. The crux of the matter is how to efficiently and reliably tailor suitable ILs toward a specific application. In this regard, the computer-aided molecular design (CAMD) approach has been widely adapted to cover this family of high-profile chemicals, that is, to perform computer-aided IL desi… Show more

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Cited by 18 publications
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References 539 publications
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