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; Leonhard, Kai (Corresponding author)

Amsterdam [u.a.] : Elsevier (2020)
Contribution to a conference proceedings, Journal Article

In: Computer aided chemical engineering
Volume: 48
Page(s)/Article-Nr.: 889-894