Showing results (1-10 of 6) with videos related to
Sort By:
Pageof 1
Faraday Discussions|May 1, 2026
Thermophysical properties of adsorbates with beyond-DFT accuracy from DFT data through error cancellationSeth G Porter, Bjarne KreitzJournal of Chemical Theory and Computation|June 24, 2023
Linking Experimental and <i>Ab Initio</i> Thermochemistry of Adsorbates with a Generalized Thermochemical HierarchyBjarne Kreitz, Kento Abeywardane, C Franklin GoldsmithJournal of Chemical Information and Modeling|March 17, 2025
Influence of Coverage Dependence on the Thermophysical Properties of Adsorbates and Its Impact on Microkinetic ModelsJongyoon Bae, Bjarne Kreitz, Andrew A Peterson, et al.Angewandte Chemie (International Ed. in English)|July 28, 2023
Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated UncertaintiesBjarne Kreitz, Patrick Lott, Felix Studt, et al.JACS Au|November 1, 2021
Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO<sub>2</sub> Hydrogenation on Ni(111)Bjarne Kreitz, Khachik Sargsyan, Katrín Blöndal, et al.Chemical Society Reviews|November 29, 2024
Unifying thermochemistry concepts in computational heterogeneous catalysisBjarne Kreitz, Gabriel S Gusmão, Dingqi Nai, et al.Pageof 1