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List of works by Xavier Rozanska

Accelerating VASP electronic structure calculations using graphic processing units

scientific article published on 20 August 2012

Gas-phase oxidation of propane and 1-butene with [V3O7]+: experiment and theory in concert

scientific article published in July 2006

Mechanisms of the water-gas-shift reaction by iron pentacarbonyl in the gas phase

scientific article published on 29 August 2008

Molecular Level Characterization of the Structure and Interactions in Peptide-Functionalized Metal-Organic Frameworks.

scientific article published on 11 October 2016

Protonation of water clusters in the cavities of acidic zeolites: (H2O)n.H-chabazite, n = 1-4.

scientific article published on 19 January 2009

QMX: a versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3 on a silica surface.

scientific article published on 23 January 2013

Reconstruction and stability of β-cristobalite 001, 101, and 111 surfaces during dehydroxylation

scientific article published on 15 October 2010

The initial step of silicate versus aluminosilicate formation in zeolite synthesis: a reaction mechanism in water with a tetrapropylammonium template

scientific article published on 02 February 2012

Triisobutylaluminum: bulkier and yet more reactive towards silica surfaces than triethyl or trimethylaluminum

scientific article published on 01 September 2013

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