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Issue DateTitleAuthor(s)
Jan-2016Transition Metal Carbides as Novel Materials for CO2 Capture, Storage, and ActivationKunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc
1-Jan-2018Jacob's Ladder as Sketched by Escher: assessing the performance of broadly used density functionals on transition metal surface propertiesVega Dominguez, Lorena; Ruvireta Jurado, Judit; Viñes Solana, Francesc; Illas i Riera, Francesc
20-Jun-2018Robustness of surface activity electronic structure-based descriptors of transition metalsVega Dominguez, Lorena; Martínez, Biel; Viñes Solana, Francesc; Illas i Riera, Francesc
16-Sep-2019MXenes as promising catalysts for water dissociationGouveia, José D.; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc; Gomes, José R. B.
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
22-Dec-2017Biogas upgrading by transition metal carbidesKunkel, Christian; Viñes Solana, Francesc; Illas i Riera, Francesc
30-Jun-2014When reconstruction comes around: Ni, Cu, and Au adatoms on d-MoC(001)Asara, Gian Giacomo; Viñes Solana, Francesc; Ricart, Josep M.; Rodríguez, José A.; Illas i Riera, Francesc
24-Aug-2015Transition metal adatoms on graphene: A systematic density functional studyManadé, Montserrat; Viñes Solana, Francesc; 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-Nov-2019Thickness biased capture of CO2 on carbide MXenesMorales García, Ángel; Mayans-Llorach, Marc; Viñes Solana, Francesc; Illas i Riera, Francesc