DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO2 surface
Hemeryck, A., Motta, A., Lacaze-Dufaure, C., Costa, D., Marcus, P.
Published in Applied surface science (31.12.2017)
Published in Applied surface science (31.12.2017)
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A poly-epoxy surface explored by Hartree-Fock ΔSCF simulations of C1s XPS spectra
Gavrielides, A, Duguet, T, Esvan, J, Lacaze-Dufaure, C, Bagus, P S
Published in The Journal of chemical physics (21.08.2016)
Published in The Journal of chemical physics (21.08.2016)
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A DFT study of the NO adsorption on Pdn (n = 1―4) clusters
LACAZE-DUFAURE, C, ROQUES, J, MIJOULE, C, SICILIA, E, RUSSO, N, ALEXIEV, V, MINEVA, T
Published in Journal of molecular catalysis. A, Chemical (03.05.2011)
Published in Journal of molecular catalysis. A, Chemical (03.05.2011)
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Journal Article
Fatty acid methyl esters as biosolvents of epoxy resins : A physicochemical study
MEDINA GONZALEZ, Y, DE CARO, P, THIEBAUD-ROUX, S, LACAZE-DUFAURE, C
Published in Journal of solution chemistry (01.04.2007)
Published in Journal of solution chemistry (01.04.2007)
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Journal Article
DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO 2 surface
Hemeryck, A., Motta, A., Lacaze-Dufaure, C., Costa, D., Marcus, P.
Published in Applied surface science (01.12.2017)
Published in Applied surface science (01.12.2017)
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Journal Article
Chemisorption of molecular oxygen on Cu(1 0 0): a Hartree–Fock and density functional study
Torras, J., Lacaze-Dufaure, C., Russo, N., Ricart, J.M.
Published in Journal of molecular catalysis. A, Chemical (20.02.2001)
Published in Journal of molecular catalysis. A, Chemical (20.02.2001)
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DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO 2 surface
Hemeryck, A., Motta, A., Lacaze-Dufaure, C., Costa, Dominique, Marcus, P.
Published in Applied surface science (01.12.2017)
Published in Applied surface science (01.12.2017)
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Journal Article
Analysis of Mixtures of Fatty Acid Esters by Chromarod Chromatography/Flame Ionization Detection
Lacaze-Dufaure, C., Mouloungui, Z.
Published in Journal of high resolution chromatography (01.03.1999)
Published in Journal of high resolution chromatography (01.03.1999)
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Journal Article
A DFT study of the NO adsorption on Pd n ( n = 1–4) clusters
Lacaze-Dufaure, C., Roques, J., Mijoule, C., Sicilia, E., Russo, N., Alexiev, V., Mineva, T.
Published in Journal of molecular catalysis. A, Chemical (03.05.2011)
Published in Journal of molecular catalysis. A, Chemical (03.05.2011)
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Electronic structure of tetra(4-aminophenyl)porphyrin studied by photoemission, UV–Vis spectroscopy and density functional theory
Giovanelli, L., Lee, H.-L., Lacaze-Dufaure, C., Koudia, M., Clair, S., Lin, Y.-P., Ksari, Y., Themlin, J.-M., Abel, M., Cafolla, A.A.
Published in Journal of electron spectroscopy and related phenomena (01.07.2017)
Published in Journal of electron spectroscopy and related phenomena (01.07.2017)
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Tandem Palladium-Catalyzed Cyclocarbonylation of Isolimonene: A Mechanistic Investigation and Theoretical Calculations on the Fully Diastereoselective Step
Lenoble, Géraldine, Lacaze-Dufaure, Corinne, Urrutigoïty, Martine, Mijoule, Claude, Kalck, Philippe
Published in European journal of inorganic chemistry (01.02.2004)
Published in European journal of inorganic chemistry (01.02.2004)
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Journal Article
NMR and density functional studies of the stereoselective palladium catalyzed cyclocarbonylation of (1 R,4 R)-isolimonene
Lacaze-Dufaure, Corinne, Lenoble, Géraldine, Urrutigoı̈ty, Martine, Gorrichon, Jean-Pierre, Mijoule, Claude, Kalck, Philippe
Published in Tetrahedron: asymmetry (19.02.2001)
Published in Tetrahedron: asymmetry (19.02.2001)
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Journal Article
Periodic density functional study of Rh and Pd interaction with the (1 0 0)MgO surface
Mineva, T., Alexiev, V., Lacaze-Dufaure, C., Sicilia, E., Mijoule, C., Russo, N.
Published in Journal of molecular structure. Theochem (15.06.2009)
Published in Journal of molecular structure. Theochem (15.06.2009)
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