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Results 11-20 of 80 (Search time: 0.029 seconds).
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Issue DateTitleAuthor(s)
11-Jan-2017Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitalsViñes Solana, Francesc; Illas i Riera, Francesc
17-Jun-2016The contact of graphene with Ni(111) surface: description by modern dispersive forces approachesMuñoz-Galán, Helena; Viñes Solana, Francesc; Gebhardt, Julian; Görling, Andreas; Illas i Riera, Francesc
1-Dec-2021Adsorption and Activation of CO2 on Nitride MXenes: Composition, Temperature, and Pressure effectsJurado, Anabel; Ibarra, Kevin; Morales García, Ángel; Viñes Solana, Francesc; Illas i Riera, Francesc
1-May-2016Effect of the exchange-correlation potential on the transferability of Bronsted-Evans-Polanyi relationships in heterogeneous catalysisFajin, Jose L. C.; Viñes Solana, Francesc; Cordeiro, M. Natália D. S.; Illas i Riera, Francesc; Gomes, José R. B.
14-May-2020MXenes atomic layer stacking phase transitions and their chemical activity consequencesGouveia, José D.; Viñes Solana, Francesc; Illas i Riera, Francesc; Gomes, José R. B.
28-Jul-2017Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulkViñes Solana, Francesc; Lamiel Garcia, Josep Oriol; Illas i Riera, Francesc; Bromley, Stefan Thomas
10-Jan-2018Assessing GW approaches for predicting core level binding energiesvan Setten, Michiel J.; Costa Sala, Ramon; Viñes Solana, Francesc; Illas i Riera, Francesc
4-Feb-2019Subsurface carbon: a general feature of noble metalsPiqué, Oriol; Koleva, Iskra Z.; Viñes Solana, Francesc; Aleksandrov, Hristiyan A.; Vayssilov, Georgi N.; Illas i Riera, Francesc
13-Mar-2019Double-well potential energy surface in the interaction between h-BN and Ni(111)Ontaneda, Jorge; Viñes Solana, Francesc; Illas i Riera, Francesc; Grau-Crespo, Ricardo
18-Jun-2022Effect of nanostructuring on the interaction of CO2 with molybdenum carbide nanoparticlesJiménez-Orozco, Carlos; Figueras, Marc; Flórez, Elizabeth; Viñes Solana, Francesc; Rodriguez, José A.; Illas i Riera, Francesc