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Results 11-20 of 57 (Search time: 0.034 seconds).
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Issue DateTitleAuthor(s)
24-Oct-2014Experimental and ab initio studies of the reactive processes in gas phase i-C3H7Br and i-C3H7OH collisions with potassium ionsLópez Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Bassi, Davide; Aguilar Navarro, Antonio
20-May-2019Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver-Copper Oxide AgCuO2Carreras Conill, Abel; Conejeros Espíndola, Sergio; Camon, Agustín; Garcia, Alberto; Casan-Pastor, Nieves; Alemany i Cahner, Pere; Canadell, Enric, 1950-
2023Toward a Rigorous Theoretical Description of Photocatalysis Using Realistic ModelsMorales García, Ángel; Viñes Solana, Francesc; Sousa Romero, Carmen; Illas i Riera, Francesc
2015Electronic-structure-based material descriptors: (in)dependence on self-interaction and Hartree-Fock exchangeNotario Estévez, Almudena; Kozlov, Sergey; Viñes Solana, Francesc; Illas i Riera, Francesc
7-Jun-2018Donor-anion interactions in quarter-filled low-dimensional organic conductorsPouget, Jean-Paul; Alemany i Cahner, Pere; Canadell, Enric, 1950-
6-Sep-2021Effect of Cr3+ doped on electronic and magnetic properties of SrFe12O19 by first‐principles studyHmok, HLinh; Betancourt, I.; Martínez-Aguilar, E.; Ribas Ariño, Jordi; Raymond Herrera, Oscar
4-Feb-2020Effect of La3+/Sr2+ ordering on the magnetic properties of La2/3Sr1/3MnO3 by first principles calculationsHmok, HLinh; Martínez-Aguilar, E.; Ribas Ariño, Jordi; Siqueiros, J. M.; Sanchez Llamazares, José Luis; Raymond Herrera, Oscar
16-Nov-2016Effects of electron transfer in model catalyst composed of Pt nanoparticles on CeO2(111) surfaceKozlov, Sergey; Neyman, Konstantin M.
1993Towards and ab initio description of magnetism in ionic solidsIllas i Riera, Francesc; Casanovas Salas, Jordi; García Bach, Ma. de los Ángeles; Caballol Lorenzo, Rosa; Castell, O.
2004Extent and limitations of density functional theory in describing magnetic systemsIllas i Riera, Francesc; Moreira, Ibério de Pinho Ribeiro; Bofill i Villà, Josep M.; Filatov, M.

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