.:. Consultation > Par auteurs du labo > Perron .:.

6 documents classés par : Date Titre Nom du premier auteur Type de documents Date de dépôt

Uranyl interaction with the hydrated (1 1 1) nickel face: A periodic density functional theory investigation Levesque M., Roques J., Domain C., Perron H., Veilly E. et al Surface Science 602 (2008) 3331-3337 [in2p3-00422487 - version 1]

Structural investigation and electronic properties of the nickel ferrite NiFe2O4: a periodic density functional theory approach Perron H., Mellier T., Domain C., Roques J., Simoni E. et al Journal of Physics: Condensed Matter 19 (2007) 346219 [in2p3-00273713 - version 1]

Optimisation of accurate rutile $TiO_2$ (110), (100), (101) and (001) surface models from periodic DFT calculations Perron H., Domain C., Roques J., Drot R., Simoni E. et al Theoretical Chemistry Accounts 117 (2007) 565-574 [in2p3-00142837 - version 1]

Combined investigation of water sorption on $TiO_2$ rutile (1 1 0) single crystal face: XPS vs. periodic DFT Perron H., Vandenborre J., Domain C., Drot R., Roques J. et al Surface Science 601 (2007) 518-527 [in2p3-00134763 - version 1]

Periodic Density Functional Theory Investigation of the Uranyl Ion Sorption on the TiO2 Rutile (110) Face Perron H., Domain C., Roques J., Drot R., Simoni E. et al Inorganic Chemistry 45 (2006) 6568-6570 [in2p3-00211960 - version 1]

Theoretical first step towards an understanding of the uranyl ion sorption on the rutile $TiO_2$(110) face: A DFT periodic and cluster study Perron H., Domain C., Roques J., Drot R., Simoni E. et al Dans Radiochimica Acta - Migration, France [in2p3-00145732 - version 1]