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• Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids

  Publication

  • A. Giełdoń
  • M. Bobrowski
  • A. Bielicka-giełdoń
  • C. Czaplewski

  - JOURNAL OF MOLECULAR LIQUIDS - Year 2017

  ACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...

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