Dr. Xavier Rozanska

Profile

Academic positionPost Doc
Research fieldsKinetics and Catalysis,Theoretical Chemistry: Electron Structure, Dynamics, Simulation
KeywordsQuantum chemistry, Catalysis, Oxidation, Dehydrogenation, Vanadium

Current contact address

Host during sponsorship

Prof. Dr. Dr. h.c. Joachim SauerInstitut für Chemie, Humboldt-Universität zu Berlin, Berlin
Start of initial sponsorship01/05/2005

Programme(s)

2004Humboldt Research Fellowship Programme

Publications (partial selection)

2008Xavier Rozanska, Joachim Sauer: Oxidative conversion of C1-C3 alkanes by vanadium oxide catalysts. DFT results and their accuracy. In: Int. J. Quantum Chem., 2008, 2223-2229
2008Xavier Rozanska, Evgenii V. Kondratenko, Joachim Sauer: Oxidative dehydrogenation of propane: Differences between N2O and O2 in the reoxidation of reduced vanadia sites and consequences for selectivity. In: Journal of Catalysis, 2008, 84-94
2007Xavier Rozanska, Rémy Fortrie, and Joachim Sauer: Oxidative dehydrogenation of propane by monomeric vanadium oxide sites on silica support. In: J. Phys. Chem. C, 2007, 6041-6050
2006Sandra Feyel, Detlef Schröder, Xavier Rozanska, Joachim Sauer, and Helmut Schwartz: Gas-Phase Oxidation of Propane and 1-Butene with [V3O7]+: Experiment and Theory in Concert. In: Angew. Chem., Int. Ed., 2006, 4677-4681