15 resultats trouvés
Auteur Titre [ Type
] Année Filtres: Auteur est Carlos Perez del Valle [Clear All Filters]
Compressibility of 2M1 muscovite-paragonite series minerals: A computational study to 6 GPa,
, American Mineralogist, 05, Volume 101, p.1207-1216, (2016)
Compressibility of 2M1 muscovite-phlogopite series minerals,
, Journal of Molecular Modeling, Volume 25, p.341, (2019)
Computational study of the elastic behavior of the 2M1 muscovite-paragonite series.,
, 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.,
, Int. J. Quantum Chem., Volume 116, Number 24, p.1851–1861, (2016)
Determination of layer charge density in expandable phyllosilicates with alkylammonium ions: A combined experimental and theoretical assessment of the method,
, Applied Clay Science, Volume 229, p.106665, (2022)
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,
, 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.,
, Chem. - A Eur. J., Volume 12, Number 8, p.2293–2302, (2006)
Galactose oxidase models: insights from 19F NMR spectroscopy.,
, Dalt. Trans., Number 5, p.832–842, (2009)
Lewis base promoters in the Pauson-Khand reaction: A different scenario.,
, 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.,
, 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.,
, 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.,
, J. Phys. Chem. A, Volume 101, Number 42, p.7842–7853, (1997)
Structure-Properties Relationships of Lithium Electrolytes Based on Ionic Liquid.,
, 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,
, Journal of Molecular Graphics and Modelling, p.107696, (2020)
A versatile electronic hole in one-electron oxidized NiII bis-salicylidene phenylenediamine complexes.,
, Chem. Commun. (Cambridge, United Kingdom), Number 43, p.4462–4464, (2007)