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Items where Person is "Lacaze-Dufaure, Corinne"

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Hemeryck, Anne and Motta, Alessandro and Lacaze-Dufaure, Corinne and Costa, Dominique and Marcus, Philippe. DFT-D study of adsorption of diaminoethane and propylamine molecules on anatase (101) TiO 2 surface. (2017) Applied Surface Science, vol. 426. pp. 107-115. ISSN 0169-4332

Giovanelli, Luca and Lee, H.-L. and Lacaze-Dufaure, Corinne and Koudia, Mathieu and Clair, Sylvain and Lin, Y.-P. and Ksari, Younal and Themlin, Jean-Marc and Abel, Mathieu and Cafolla, Attilio A.. Electronic structure of tetra(4-aminophenyl)porphyrin studied by photoemission, UV–Vis spectroscopy and density functional theory. (2017) Journal of Electron Spectroscopy and Related Phenomena, vol. 218. pp. 40-45. ISSN 0368-2048

Gavrielides, Andreas and Duguet, Thomas and Esvan, Jérôme and Lacaze-Dufaure, Corinne and Bagus, Paul S.. A poly-epoxy surface explored by Hartree-Fock ΔSCF simulations of C1s XPS spectra. (2016) Journal of Chemical Physics, vol. 145 (n° 7). pp. 074703-1-074703-7. ISSN 0021-9606

Chiter, Fatah and Lacaze-Dufaure, Corinne and Tang, Hao and Pébère, Nadine. DFT studies of the bonding mechanism of 8-hydroxyquinoline and derivatives on the (111) aluminum surface. (2015) Physical Chemistry Chemical Physics (n°34). pp.22243-22258. ISSN 1463-9076

Duguet, Thomas and Bessaguet, Camille and Aufray, Maëlenn and Esvan, Jérôme and Charvillat, Cédric and Vahlas, Constantin and Lacaze-Dufaure, Corinne. Toward a computational and experimental model of a poly-epoxy surface. (2015) Applied Surface Science, vol. 324. pp. 605-611. ISSN 0169-4332

Piang-Siong, William and De Caro, Pascale and Lacaze-Dufaure, Corinne and Shum Cheong Sing, Alain and Hoareau, William. Effect of catalytic conditions on the synthesis of new aconitate esters. (2011) Industrial Crops and Products, vol. 35. pp. 203-210. ISSN 0926-6690

Lacaze-Dufaure, Corinne and Roques, Jérôme and Mijoule, Claude and Sicilia, Emilia and Russo, Nino and Alexiev, Valentin and Mineva, Tzonka. A DFT study of the NO adsorption on Pdn (n = 1–4) clusters. (2011) Journal of Molecular Catalysis A: Chemical, vol. 341 (n° 1 - 2). pp. 28-34. ISSN 1381-1169

Benali, Anouar and Lacaze-Dufaure, Corinne and Morillo, Joseph. Density functional study of copper segregation in aluminum. (2011) Surface Science, vol. 605 (n° 3 - 4). pp. 341-350. ISSN 0039-6028

Lacaze-Dufaure, Corinne and Najjar, Fadia and André-Barrès, Christiane. First computational evidence of a competitive stepwise and concerted mechanism for the reduction of antimalarial endoperoxides. (2010) Journal of Physical Chemistry B, vol. 114 (n° 30). pp. 9848-9853. ISSN 1520-6106

Mineva, Tzonka and Alexiev, Valentin and Lacaze-Dufaure, Corinne and Sicilia, Emilia and Mijoule, Claude and Russo, Nino. Periodic density functional study of Rh and Pd interaction with the (100)MgO surface. (2009) Journal of Molecular Structure THEOCHEM, vol. 9 (n° 1-3). pp. 59-66. ISSN 0166-1280

Hadj-Kali, Mohamed and Gerbaud, Vincent and Joulia, Xavier and Lacaze-Dufaure, Corinne and Mijoule, Claude and Ungerer, Philippe. Optimized intermolecular potential for nitriles based on Anisotropic United Atoms model. (2008) Journal of Molecular Modeling, vol. 1 (n° 7). pp. 571-580. ISSN 1610-2940

Roques, Jérôme and Lacaze-Dufaure, Corinne and Mijoule, Claude. Dissociative Adsorption of Hydrogen and Oxygen on Palladium Clusters: A Comparison with the (111) Infinite Surface. (2007) Journal of Chemical Theory and Computation, vol. 3 (n° 3). pp. 878-884. ISSN 1549-9618

Medina-González, Yaocihuatl and De Caro, Pascale and Thiebaud-Roux, Sophie and Lacaze-Dufaure, Corinne. Fatty Acid Methyl Esters as Biosolvents of Epoxy Resins: A Physicochemical Study. (2007) Journal of Solution Chemistry, vol. 36 (n° 4). pp. 437-446. ISSN 0095-9782

Lacaze-Dufaure, Corinne and Blanc, Christine and Mankowski, Georges and Mijoule, Claude. Density functional theoretical study of Cun, Aln (n = 4–31) and copper doped aluminum clusters: Electronic properties and reactivity with atomic oxygen. (2007) Surface Science, vol. 601 (n° 6). pp. 1544-1553. ISSN 0039-6028

Lacaze-Dufaure, Corinne and Najjar, Fadia and André-Barrès, Christiane. A DFT study of the G3-Factor and derivatives. (2007) Journal of Molecular Structure THEOCHEM, vol. 803 (n° 1 - 3). pp. 17-21. ISSN 0166-1280

Najjar, Fadia and André-Barrès, Christiane and Baltas, Michel and Lacaze-Dufaure, Corinne and Magri, David C. and Workentin, Mark S. and Tzedakis, Théodore. Electrochemical Reduction of G3-Factor Endoperoxide and Its Methyl Ether: Evidence for a Competition between Concerted and Stepwise Dissociative Electron Transfer. (2006) Chemistry - A European Journal, vol. 13 (n° 4). pp. 1174-1179. ISSN 0947-6539

This list was generated on Mon May 28 03:36:42 2018 CEST.