Articles publicats en revistes (Ciència dels Materials i Química Física) Collection home page

Browse
Subscribe to this collection to receive daily e-mail notification of new additions RSS Feed RSS Feed RSS Feed
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 565
Issue DateTitleAuthor(s)
1-Nov-2006On the Physical Interpretation of Density Operators at the Atomic Scale: A Thorough Analysis of Some Simple CasesPaniagua, Juan Carlos
30-Apr-2015Electrochemical oxidation of the carbon support to synthesize Pt(Cu) and Pt-Ru(Cu) core-shell electrocatalysts for low-temperature fuel cellsCaballero-Manrique, Griselda; Brillas, Enric; Centellas Masuet, Francesc A.; Garrido Ponce, José Antonio; Rodríguez González, Rosa Ma.; Cabot Julià, Pere-Lluís
30-Apr-2015Electrochemical oxidation of the carbon support to synthesize Pt(Cu) and Pt-Ru(Cu) core-shell electrocatalysts for low-temperature fuel cellsCaballero-Manrique, Griselda; Brillas, Enric; Centellas Masuet, Francesc A.; Garrido Ponce, José Antonio; Rodríguez González, Rosa Ma.; Cabot Julià, Pere-Lluís
2016Consequences of electron correlation for XPS binding energies: Representative case for C(1s) and O(1s) XPS of COBagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
2019The role of vibrational anharmonicity in the computational study of thermal spin crossoverWu, Jianfang; Sousa Romero, Carmen; Graaf, Cohen de
11-Feb-2011The fate of optical excitations in small polyhedral ZnS clusters: a theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6Zwijnenburg, M.A.; Sousa Romero, Carmen; Illas i Riera, Francesc; Bromley, S.T.
21-Aug-2006Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculationsCarrasco Rodríguez, Javier; Sousa Romero, Carmen; Illas i Riera, Francesc; Sushko, P.V.; Shluger, A.L.
17-Sep-2009The effect of local environment on photoluminescence: a TD-DFT study of silanone groups on the surface of silica nanostructuresZwijnenburg, M.A.; Sokol, A.A.; Sousa Romero, Carmen; Bromley, S.T.
5-May-2005A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbidesViñes Solana, Francesc; Sousa Romero, Carmen; Liu, P.; Rodriguez, J. A.; Illas i Riera, Francesc
3-Jul-2008Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methodsZwijnenburg, M.A.; Sousa Romero, Carmen; Sokol, A.A.; Bromley, S.T.
1-Oct-2004Optical properties of Cu nano-clusters supported on MgO(100)Del Vitto, Annalisa; Sousa Romero, Carmen; Illas i Riera, Francesc; Pacchioni, Gianfranco
24-Jun-2004Combining molecular dynamics and ab initio quantum-chemistry to describe electron transfer reactions in electrochemical environmentsDomínguez-Ariza, David; Hartnig, Christoph; Sousa Romero, Carmen; Illas i Riera, Francesc
2001On the accurate prediction of the optical absorption energy of F-centers inMgO from explicitly correlated ab initio cluster model calculationsSousa Romero, Carmen; Illas i Riera, Francesc
2001Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculationsSousa Romero, Carmen; Graaf, Cohen de; Pacchioni, Gianfranco
2000Electric field effects on the ionic-neutral curve crossing of alkali halide moleculesSousa Romero, Carmen; Domínguez-Ariza, David; Graaf, Cohen de; Illas i Riera, Francesc
1-Mar-2016Chemical and structural characterization of slag compounds formed in the melting processes to produce spheroidal graphite cast ironsRegordosa Romagosa, Anna; Llorca i Isern, Núria
1-Mar-2016Slag compounds formed from the nodularization treatment until pouring the molds to produce spheroidal graphite cast iron partsRegordosa Romagosa, Anna; Llorca i Isern, Núria
7-Feb-2019Highly efficient elastomeric fluorescence sensors for force detectionHeras, Daniel; Reig Canyelles, Marta; Llorca i Isern, Núria; Garcia Amorós, Jaume; Velasco Castrillo, Dolores
9-Feb-2020Efficient magnetic hybrid ZnO-based photocatalysts for visible-light-driven removal of toxic cyanobacteria blooms and cyanotoxinsSerrà i Ramos, Albert; Pip, Petai; Gómez, Elvira; Philippe, Laetitia
24-Apr-2014Influence of oxide additions in Cu-Co-Fe composite powders obtained by mechanical alloyingLlorca i Isern, Núria; Artieda Guzmán, Cristina; Viqué, José Alberto; Roca, Antoni (Roca Vallmajor)
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 565