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Results 31-40 of 53 (Search time: 0.034 seconds).
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Issue DateTitleAuthor(s)
28-Jan-2016Performance of Minnesota functionals on predicting core-level binding energies of molecules containing main-group elementsPueyo Bellafont, Noèlia; Alvarez Saiz, Gabriel; Viñes Solana, Francesc; Illas i Riera, Francesc
12-Jan-2016Performance of the TPSS functional on predicting core level binding energies of main group elements containing molecules: a good choice for molecules adsorbed on metal surfacesPueyo Bellafont, Noèlia; Viñes Solana, Francesc; Illas i Riera, Francesc
6-Sep-2014Bulk properties of transition metals: a challenge for the design of universal density functionalsJanthon, Patanachai; Luo, Sijie (Andy); Kozlov, Sergey; Viñes Solana, Francesc; Limtrakul, Jumras; Truhlar, Donald G.; Illas i Riera, Francesc
25-May-2018Two-dimensional nitrides as highly efficient potential candidates for CO2 capture and activationMorales-Salvador, Raul; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc
25-Jun-2014Vacancy patterning and patterning vacancies: controlled self-assembly of fullerenes on metal surfacesKaiser, Alexander; Viñes Solana, Francesc; Illas i Riera, Francesc; Ritter, Marcel; Hagelberg, Frank; Probst, Michael
7-Feb-2018On the H-2 interactions with transition metal adatoms supported on graphene: a systematic density functional studyManadé, Montserrat; Viñes Solana, Francesc; Gil, Adrià; Illas i Riera, Francesc
23-Aug-2018Understanding W doping in wurtzite ZnOViñes Solana, Francesc; Iglesias-Juez, Ana; Fernandez-Garcia, Marcos; Illas i Riera, Francesc
15-Jan-2018Combining theory and experiment for multitechnique characterization of activated CO2 on transition metal carbide (001) surfacesKunkel, Christian; Viñes Solana, Francesc; Ramírez, Pedro J.; Rodríguez, José A.; Illas i Riera, Francesc
22-Dec-2017Biogas upgrading by transition metal carbidesKunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc
7-Nov-2017Bandgap engineering by cationic disorder: case study on AgBiS2Viñes Solana, Francesc; Konstantatos, Gerasimos; Illas i Riera, Francesc