XR
Xavier Rozanska
Research areas: Chemistry · Inorganic Chemistry · Zeolite Catalysis and Synthesis · Catalysis and Oxidation Reactions · Advanced Chemical Physics Studies
0000-0001-9174-562X
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Publications (20)
- A Periodic DFT Study of the Isomerization of Thiophenic Derivatives Catalyzed by Acidic Mordenite Save
- A Periodic Density Functional Theory Study of Intermolecular Isomerization of Toluene and Benzene Catalyzed by Acidic Mordenite Zeolite: Effect of the Zeolite Steric Constraints Save
- A periodic density functional theory study of gallium-exchanged mordenite Save
- Accelerating VASP electronic structure calculations using graphic processing units Save
- ChemInform Abstract: Theoretical Study of Reactions Catalyzed by Acidic Zeolite. Save
- Control of the radical polymerization by 2,2,15,15-tetramethyl-1-aza-4,7,10,13-tetraoxacyclopentadecan-1-oxyl and its sodium salt Save
- Gas-Phase Oxidation of Propane and 1-Butene with [V3O7]+: Experiment and Theory in Concert Save
- Gasphasenoxidation von Propan und 1-Buten durch [V3O7]+: Wechselspiel von Experiment und Theorie Save
- Mechanisms of the Water−Gas-Shift Reaction by Iron Pentacarbonyl in the Gas Phase Save
- Modeling ion–ion interaction in proteins: A molecular dynamics free energy calculation of the guanidinium-acetate association Save
- Oxidative Dehydrogenation of Hydrocarbons by V3O7+Compared to Other Vanadium Oxide Species† Save
- Oxidative conversion of C1-C3 alkanes by vanadium oxide catalysts. DFT results and their accuracy Save
- Protonation of water clusters in the cavities of acidic zeolites: (H2O)n·H-chabazite, n = 1–4 Save
- QMX: A versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3on a silica surface Save
- Reaction Mechanisms in Zeolite Catalysis Save
- Reaction Mechanisms in Zeolite Catalysis Save
- Reaction mechanisms in protonic zeolites Save
- Reconstruction and stability of β-cristobalite 001, 101, and 111 surfaces during dehydroxylation Save
- The initial step of silicate versus aluminosilicate formation in zeolite synthesis: a reaction mechanism in water with a tetrapropylammonium template Save
- Triisobutylaluminum: bulkier and yet more reactive towards silica surfaces than triethyl or trimethylaluminum. Save