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Results 11-20 of 98 (Search time: 0.013 seconds).
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Issue DateTitleAuthor(s)
16-May-2017Effective and highly selective CO generation from CO2 using a polycrystalline α‑Mo2C catalystLiu, Xinayun; Kunkel, Christian; Ramírez de la Piscina, Pilar; Homs Martí, Narcís; Viñes Solana, Francesc; Illas i Riera, Francesc
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-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
2020Limitations of the equivalent core model for understanding core-level spectroscopiesBagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
3-Jan-2020Investigating the character of excited states in TiO2 nanoparticles from topological descriptors: implications for photocatalysisValero Montero, Rosendo; Morales García, Ángel; Illas i Riera, Francesc
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