Rx-COSMO-CAMD: Computer-Aided Molecular Design of Reaction Solvents Based on Predictive Kinetics from Quantum Chemistry

Gertig, Christoph Udo; Kröger, Leif Christian; Fleitmann, Lorenz Heinrich Johannes; Scheffczyk, Jan David; Bardow, André; Leonhard, Kai (Corresponding author)

Columbus, Ohio : American Chemical Society (2019)
Journal Article

In: Industrial & engineering chemistry research
Volume: 58
Issue: 51
Page(s)/Article-Nr.: 22835-22846


  • The Fuel Science Center [080066]
  • Chair and Institute of Technical Thermodynamics [412110]