Humboldt-Universität zu Berlin - Mathematisch-Naturwissenschaftliche Fakultät - Quantenchemie der Festkörper/ Katalyse

V. Karpov, F. Berger, J. Sauer, DFT Analysis of Water Diffusion in MOF-303, MOFSIM-2024, Montpellier, France, April 10-12, 2024.

H. Windeck, F. Berger, J. Sauer, Next Generation Quantum Chemistry of Water Adsorption in Acidic Zeolites, Bunsen-Tagung, Aachen, Germany, March 25-27, 2024.

V. Karpov, F. Berger, J. Sauer, The Path of Water in MOF-303, Bunsen-Tagung 2024, Aachen, Germany, March 25-27, 2024.

W. Schwedland, F. Müller, H. Windeck, S. Leach, F. Berger, J. Sauer, X.R. Advincula, Y. Li, A. Chakraborty, T.C. Penna, K.R. Asmis, The Impact of Fluxionality: Identifying the Structure of First Row Transition Metal Substituted Aluminum Oxide Clusters, Bunsen-Tagung 2024, Aachen, Germany, March 25-27, 2024.

P. Neuendorf, H. Windeck, F. Berger, J. Sauer, Ab Initio Investigation of Free and H-bonded Bridging Hydroxyl Groups in the Zeolite Mordenite, Bunsen-Tagung 2024, Aachen, Germany, March 25-27, 2024.

S. Leach, J. Sauer, M. Jorewitz, Y. Li, S. Debnath, A. Chakraborty, K. R. Asmis, Effect of Fe and Co Substitution on the Structure and Reactivity of Al8O12+ Cluster Cations - a Challenge for Quantum Chemistry, ISSPIC XXI, Berlin, Germany, September 03-08, 2023.

W. Schwedland, F. Müller, S. Leach, H. Windeck, Y. Li, A. Chakraborty, F. Berger, K. Asmis, J. Sauer, Elucidating the Structure and Reactivity of First Row Transition Metal Oxide Clusters by Combining Experiment and Theory, ISSPIC XXI, Berlin, Germany, September 03-08, 2023.

H. Windeck, F. Berger, J. Sauer, Internal Hydrogen Bonds in Zeolite H‒MFI, Conference of the Federation of European Zeolite Associations, Portoroz, Slovenia, July 2-6, 2023.

N. Mancini, F. Berger, M. Rybicki, K. Sillar, J. Sauer, Ab initio prediction of water adsorption energies and structures in Mg-MOF-74, 3rd International School On Porous Materials: MOFschool2023, Como, Italy, June 19-23, 2023.

N. Mancini, F. Berger, M. Rybicki, K. Sillar, J. Sauer, Ab initio prediction of water adsorption energies and structures in Mg-MOF-74, Bunsen-Tagung, Berlin, Germany, June 05-07, 2023.

S. Leach, M. Jorewitz, S. Debnath, A. Chakraborty, K. Asmis, J. Sauer, A Cationic Oxide Cluster with Fe-oxo; Insight from Theory and Experiment, Bunsen-Tagung, Berlin, Germany, June 05-07, 2023.

H. Windeck, F. Berger, J. Sauer, Internal Hydrogen Bonds in Zeolite H‒MFI, Bunsen-Tagung, Berlin, Germany, June 05-07, 2023.

W. Schwedland, F. Müller, S. Leach, H. Windeck, Y. Li, A. Chakraborty, F. Berger, K. Asmis, J. Sauer, The „Key“ towards Methane Conversion: Gas Phase C-H Bond Activation by First Row Transition Metal Oxide Clusters, Bunsen-Tagung, Berlin, Germany, June 05-07, 2023.

J. Sauer, Ab initio predictions for elementary adsorption and reaction steps in catalysis by acidic zeolites - a challenge for quantum chemistry, Joint Interest Group Conference, Sheffield, UK, April 3-5, 2023.

S. Leach, M. Jorewitz, S. Debnath, A. Chakraborty, K. Asmis, J. Sauer, Investigation of Zeolite Reactivity and Method Development for Accurate Free Energy Calculations, Bunsen-Tagung, Gießen, Germany, September 07-09, 2022.

F. Berger, J. Sauer, Investigation of Zeolite Reactivity and Method Development for Accurate Free Energy Calculations, Bunsen-Tagung, Gießen, Germany, September 07-09, 2022.

W. Schwedland, F. Berger, F. Müller, K. Sillar, J. Sauer, Which Computational Methods to Trust for Modelling CO2 Adsorption on Fe-MOF-74?, Bunsen-Tagung 2022, Gießen, Germany, September 07-09, 2022.

H. Windeck, F. Berger, K. Sillar, J. Sauer, Next Generation Quantum Chemistry of Water in Acidic Zeolites, International Conference on Theoretical Aspects of Catalysis, Lyon, France, June 13-17, 2022.

F. Berger, M. Rybicki, J. Sauer, The Influence of the Active Site Location in the Zeolite H-MFI on Cracking of Linear Alkanes, International Conference on Theoretical Aspects of Catalysis (ICTAC), Lyon, France, June 13-17, 2022.

H. Windeck, F. Berger, K. Sillar, J. Sauer, Next Generation Quantum Chemistry of Water in Acidic Zeolites, 27th North American Catalysis Society Meeting, New York City, USA, May 22-27, 2022.

F. Berger, M. Rybicki, J. Sauer, MD Simulations with Chemical Accuracy – Alkane Reactivity in Acidic Zeolites, 27th North American Catalysis Society Meeting, New York City, USA, May 22-27, 2022.