Projects
Contact person, projects
Publications
- CO2 Utilization through Reaction with Alcohols: A Quantum Chemical Study
- Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study Read the publication
- Surface Reconstruction, Hydration, and Adhesion of Epoxy to the (0001) Surface of α-Berlinite: Insights from Density Functional Theory Calculations Read the publication
- Structure, hydration, and chloride ingress in C-S-H: Insight from DFT calculations Read the publication
- Synthesis and characterization of Al@MOF materials Read the publication
- Kinetics of Zeolite Dealumination: Insights from H-SSZ-13
- Mechanism of Si island formation in SAPO-34
- Desilication of SAPO-34: Reaction mechanisms from periodic DFT calculations
- Oxygen-promoted C-H bond activation at palladium
- Unit cell expansion upon coke formation in a SAPO-34 catalyst: A combined experimental and computational study
Other
- CO2 Utilization Through Reaction with Alcohols: A Computational Mechanistic Study.
- Possible mechanisms for organic carbonates from CO2 capture.
- Gas phase hydroformylation with the post-modified Metal-Organic Framework NU-1000
- Abels tårn 18. november 2024
- Hydrogen activation through frustrated Lewis pairs: A quantum chemical perspective.
- Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study
- Propane Dehydrogenation Over Silica-supported Single-site Metal Catalysts: A Comparative DFT Study.
- Effect of Sn on the stability of Pt-nanoclusters deposited on alumina a silica
- Propane Dehydrogenation Over Silica-supported Single-site Metal Catalysts: A Comparative DFT Study.
- Insights from periodic DFT calculations on the structure of, and chloride incursion into, Calcium-Silicate-Hydroxide