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Results 1-10 of 11 (Search time: 0.027 seconds).
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Issue DateTitleAuthor(s)
16-Nov-2016Effects of electron transfer in model catalyst composed of Pt nanoparticles on CeO2(111) surfaceKozlov, Sergey; Neyman, Konstantin M.
22-Feb-2016First-principles analysis of the charge transfer in the NMP-TCNQ molecular metal and (NMP)x(Phen)1-xTCNQ solid solutionsAlemany i Cahner, Pere; Canadell, Enric, 1950-; Pouget, Jean-Paul
12-Apr-2016Tuning Crystal Ordering, Electronic Structure, and Morphology in Organic Semiconductors: Tetrathiafulvalenes as a Model CasePfattner, Raphael; Bromley, Stefan Thomas; Rovira i Angulo, Concepció; Mas Torrent, Marta
5-Jan-2017Versatile optimization of chemical ordering in bimetallic nanoparticlesKovács, Gábor; Kozlov, Sergey; Neyman, Konstantin M.
2018Estructura electrònica i propietats de sistemes multifuncionals: materials derivats del bisditiazolilRoncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro
1-Jul-2015Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of 𝛿-Bi2O3Galván, D.H.; Núñez-González, R.; Rangel, R.; Alemany i Cahner, Pere; Posada-Amarillas, A.
5-Nov-2015Structural control over spin localization in triarylmethylsAlcón Rovira, Isaac; Bromley, Stefan Thomas
15-Dec-2018Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materialsRoncero, Cristina; Deumal i Solé, Mercè; Ribas Ariño, Jordi; Moreira, Ibério de Pinho Ribeiro
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
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