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
Institutions
- The Fuel Science Center [080066]
- Chair and Institute of Technical Thermodynamics [412110]
Identifier
- DOI: 10.1021/acs.iecr.9b03232
- RWTH PUBLICATIONS: RWTH-2020-00759