Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 565
| Issue Date | Title | Author(s) |
| 1-Nov-2006 | On the Physical Interpretation of Density Operators at the Atomic Scale: A Thorough Analysis of Some Simple Cases | Paniagua, Juan Carlos |
| 30-Apr-2015 | Electrochemical oxidation of the carbon support to synthesize Pt(Cu) and Pt-Ru(Cu) core-shell electrocatalysts for low-temperature fuel cells | Caballero-Manrique, Griselda; Brillas, Enric; Centellas Masuet, Francesc A.; Garrido Ponce, José Antonio; Rodríguez González, Rosa Ma.; Cabot Julià, Pere-Lluís |
| 30-Apr-2015 | Electrochemical oxidation of the carbon support to synthesize Pt(Cu) and Pt-Ru(Cu) core-shell electrocatalysts for low-temperature fuel cells | Caballero-Manrique, Griselda; Brillas, Enric; Centellas Masuet, Francesc A.; Garrido Ponce, José Antonio; Rodríguez González, Rosa Ma.; Cabot Julià, Pere-Lluís |
| 2016 | Consequences of electron correlation for XPS binding energies: Representative case for C(1s) and O(1s) XPS of CO | Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 2019 | The role of vibrational anharmonicity in the computational study of thermal spin crossover | Wu, Jianfang; Sousa Romero, Carmen; Graaf, Cohen de |
| 11-Feb-2011 | The fate of optical excitations in small polyhedral ZnS clusters: a theoretical study of the excitation and localization of electrons in Zn4S4 and Zn6S6 | Zwijnenburg, M.A.; Sousa Romero, Carmen; Illas i Riera, Francesc; Bromley, S.T. |
| 21-Aug-2006 | Optical absorption and luminescence energies of F centers in CaO from ab initio embedded cluster calculations | Carrasco Rodríguez, Javier; Sousa Romero, Carmen; Illas i Riera, Francesc; Sushko, P.V.; Shluger, A.L. |
| 17-Sep-2009 | The effect of local environment on photoluminescence: a TD-DFT study of silanone groups on the surface of silica nanostructures | Zwijnenburg, M.A.; Sokol, A.A.; Sousa Romero, Carmen; Bromley, S.T. |
| 5-May-2005 | A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides | Viñes Solana, Francesc; Sousa Romero, Carmen; Liu, P.; Rodriguez, J. A.; Illas i Riera, Francesc |
| 3-Jul-2008 | Optical excitations of defects in realistic nanoscale silica clusters: comparing the performance of density functional theory using hybrid functionals with correlated wavefunction methods | Zwijnenburg, M.A.; Sousa Romero, Carmen; Sokol, A.A.; Bromley, S.T. |
| 1-Oct-2004 | Optical properties of Cu nano-clusters supported on MgO(100) | Del Vitto, Annalisa; Sousa Romero, Carmen; Illas i Riera, Francesc; Pacchioni, Gianfranco |
| 24-Jun-2004 | Combining molecular dynamics and ab initio quantum-chemistry to describe electron transfer reactions in electrochemical environments | Domínguez-Ariza, David; Hartnig, Christoph; Sousa Romero, Carmen; Illas i Riera, Francesc |
| 2001 | On the accurate prediction of the optical absorption energy of F-centers inMgO from explicitly correlated ab initio cluster model calculations | Sousa Romero, Carmen; Illas i Riera, Francesc |
| 2001 | Optical properties of peroxy radicals in silica: Multiconfigurational perturbation theory calculations | Sousa Romero, Carmen; Graaf, Cohen de; Pacchioni, Gianfranco |
| 2000 | Electric field effects on the ionic-neutral curve crossing of alkali halide molecules | Sousa Romero, Carmen; Domínguez-Ariza, David; Graaf, Cohen de; Illas i Riera, Francesc |
| 1-Mar-2016 | Chemical and structural characterization of slag compounds formed in the melting processes to produce spheroidal graphite cast irons | Regordosa Romagosa, Anna; Llorca i Isern, Núria |
| 1-Mar-2016 | Slag compounds formed from the nodularization treatment until pouring the molds to produce spheroidal graphite cast iron parts | Regordosa Romagosa, Anna; Llorca i Isern, Núria |
| 7-Feb-2019 | Highly efficient elastomeric fluorescence sensors for force detection | Heras, Daniel; Reig Canyelles, Marta; Llorca i Isern, Núria; Garcia Amorós, Jaume; Velasco Castrillo, Dolores |
| 9-Feb-2020 | Efficient magnetic hybrid ZnO-based photocatalysts for visible-light-driven removal of toxic cyanobacteria blooms and cyanotoxins | Serrà i Ramos, Albert; Pip, Petai; Gómez, Elvira; Philippe, Laetitia |
| 24-Apr-2014 | Influence of oxide additions in Cu-Co-Fe composite powders obtained by mechanical alloying | Llorca 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
