CAT-COSMO-CAMPD : Integrated in silico design of catalysts and processes based on quantum chemistry

Gertig, Christoph Udo; Fleitmann, Lorenz Heinrich Johannes; Hemprich, Carl; Hense, Janik; Bardow, André (Corresponding author); Leonhard, Kai (Corresponding author)

Amsterdam [u.a.] : Elsevier Science (2021)
Journal Article

In: Computers & chemical engineering : CACE
Volume: 153
Page(s)/Article-Nr.: 107438


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