Molecular modelling of ionic liquids: situations when charge scaling seems insufficient

HIGHLIGHTS

  • who: Zhaoxi Sun and collaborators from the College of Chemistry and Molecular Engineering, Peking University, Beijing, China have published the article: Molecular Modelling of Ionic Liquids: Situations When Charge Scaling Seems Insufficient, in the Journal: Molecules 2023, 28, x FOR PEER REVIEW of /2023/
  • what: In this work considering two ILs from the quinuclidinium family the authors investigate the impacts of this vdWscaling treatment on the mass density and the solvation/partition thermodynamics in a fashion similar to the previous works i.e. scanning the factor and computing physical properties under these parameter sets. The . . .

     

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