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Publications

14 resultats trouvés
Auteur Titre [ Type(Desc)] Année
Filtres: Auteur est Carlos Perez del Valle  [Clear All Filters]
Journal Article
Compressibility of 2M1 muscovite-paragonite series minerals: A computational study to 6 GPa, Hernandez-Haro, Noemi, Munoz-Santiburcio Daniel, Perez del Valle Carlos, Ortega-Castro Joaquin, Sainz-Díaz Claro I., Garrido Carlos J., and Hernández-Laguna Alfonso , American Mineralogist, 05, Volume 101, p.1207-1216, (2016)
Compressibility of 2M1 muscovite-phlogopite series minerals, Hernández-Laguna, Alfonso, Perez del Valle Carlos, Hernandez-Haro Noemi, Ortega-Castro Joaquin, Munoz-Santiburcio Daniel, Vidal Isaac, Sánchez-Navas Antonio, Escamilla-Roa Elizabeth, and Sainz-Diaz Claro Ignacio , Journal of Molecular Modeling, Volume 25, p.341, (2019)
Computational study of the elastic behavior of the 2M1 muscovite-paragonite series., Hernandez-Haro, Noemi, Ortega-Castro Joaquin, Perez del Valle Carlos, Munoz-Santiburcio Daniel, Sainz-Diaz Claro Ignacio, and Hernandez-Laguna Alfonso. , Am. Mineral., Volume 98, Number 4, p.651–664, (2013)
Depicting electronic distributions from accurate computational first principles: On the relationship between the complex patterns of bonding interaction and the back-donation phenomenon., Lobayan, Rosana M., Bochicchio Roberto C., and Perez del Valle Carlos , Int. J. Quantum Chem., Volume 116, Number 24, p.1851–1861, (2016)
Donor-acceptor interactions: Transition metal carbonyl group ligand [TM(CO)6]q complexes. A case study at correlated level from the topological density point of view, Bochicchio, Roberto C., Lobayan Rosana M., and Perez del Valle Carlos , International Journal of Quantum Chemistry, Volume 119, p.e25876, (2019)
Fine tuning of the oxidation locus, and electron transfer, in nickel complexes of pro-radical ligands., Rotthaus, Olaf, Jarjayes Olivier, Thomas Fabrice, Philouze Christian, Perez del Valle Carlos, Saint-Aman Eric, and Pierre Jean-Louis. , Chem. - A Eur. J., Volume 12, Number 8, p.2293–2302, (2006)
Galactose oxidase models: insights from 19F NMR spectroscopy., Michel, Fabien, Hamman Sylvain, Philouze Christian, Perez del Valle Carlos, Saint-Aman Eric, and Thomas Fabrice , Dalt. Trans., Number 5, p.832–842, (2009)
Lewis base promoters in the Pauson-Khand reaction: A different scenario., Perez del Valle, Carlos, Milet Anne, Gimbert Yves, and Greene Andrew E. , Angew. Chemie, Int. Ed., Volume 44, Number 35, p.5717–5719, (2005)
NMR and electrochemical study on lithium oligoether sulfate in polymeric and liquid electrolytes., Chauvin, Christophe, Alloin Fannie, Judeinstein Patrick, Perez del Valle Carlos, and Sanchez Jean-Yves. , ChemPhysChem, Volume 7, Number 9, p.1921–1929, (2006)
One-electron oxidized nickel(II) complexes of bis and tetra(salicylidene) phenylenediamine Schiff bases: from monoradical to interacting Ni(III) ions., Rotthaus, Olaf, Jarjayes Olivier, Philouze Christian, Perez del Valle Carlos, and Thomas Fabrice , Dalt. Trans., Number 10, p.1792–1800, (2009)
Structure of the First Solvation Shell of the Hydroxide Anion. A Model Study Using OH-(H2O)n (n = 4, 5, 6, 7, 11, 17) Clusters., Novoa, Juan J., Mota Fernando, Perez del Valle Carlos, and Planas Marc. , J. Phys. Chem. A, Volume 101, Number 42, p.7842–7853, (1997)
Structure-Properties Relationships of Lithium Electrolytes Based on Ionic Liquid., Le, My Loan Phung, Alloin Fannie, Strobel Pierre, Leprêtre Jean-Claude, Perez del Valle Carlos, and Judeinstein Patrick. , J. Phys. Chem. B, Volume 114, Number 2, p.894–903, (2010)
Topological population analysis and pairing/unpairing electron distribution evolution: Atomic B3+ cluster bending mode, a case study, Lobayan, Rosana M., Bochicchio Roberto C., and Perez del Valle Carlos , Journal of Molecular Graphics and Modelling, p.107696, (2020)
A versatile electronic hole in one-electron oxidized NiII bis-salicylidene phenylenediamine complexes., Rotthaus, Olaf, Jarjayes Olivier, Perez del Valle Carlos, Philouze Christian, and Thomas Fabrice , Chem. Commun. (Cambridge, United Kingdom), Number 43, p.4462–4464, (2007)