Study of reaction mechanisms using density functional theory methods
Selected Publications
DFT-Study of the Molybdenum-Catalyzed Deoxydehydration of Vicinal Diols D. Lupp, N. J. Christensen, J. R. Dethlefsen, P. Fristrup Chemistry a European Journal, 2014, 8, 3435, (2014)
Ex situ generation of stoichiometric and substoichiometric 12CO and 13CO and its efficient incorporation in palladi... P. Hermange, A. T. Lindhardt, R. H. Taaning, K. Bjerglund, D. Lupp, T. Skrydstrup Journal of the American Chemical Society, 133, 6061, (2011)
Pd-catalyzed C-N bond formation with heteroaromatic tosylates M. L. H. Mantel, A. T. Lindhardt, D. Lupp, T. Skrydstrup