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Issue DateTitleAuthor(s)
8-Aug-2018Tuning transition metal carbide activity by surface metal alloying: a case study on CO2 capture and activationLópez Berbel, Martí; Broderick, Luke; Carey, John J.; Viñes Solana, Francesc; Nolan, Michael; Illas i Riera, Francesc
2003Ab initio study of the two lowest triplet potential energy surfaces involved in the N(4S) + NO(X2Π) reactionGamallo Belmonte, Pablo; González Pérez, Miguel; Sayós Ortega, Ramón
2003Influence of the collision energy on the N(2D) + O2 → O(3P) + NO reaction dynamics. A QCT study involving four potential energy surfacesMiquel, Irene; Hernando, Jordi; Sayós Ortega, Ramón; González Pérez, Miguel
5-Nov-2015Structural control over spin localization in triarylmethylsAlcón Rovira, Isaac; Bromley, Stefan Thomas
1998Dynamics of the N(4Su) + NO (X2Π) → N2 (X1Σg+) + O (3Pg) atmosferic reaction on the 3A'' potential energy surface. II. The effect of reagent translational, vibrational, and rotational energiesGilibert, Miquel; Aguilar Navarro, Antonio; González Pérez, Miguel; Sayós Ortega, Ramón
4-Jun-1998Dynamics of the N(4S) + NO(X2Π) → N2(X1Σ g+) + O(3P) atmospheric reaction on the 3A'' ground potential energy surface.III. Quantum dynamics study and comparison with quasiclassical and experimental resultsAguilar Navarro, Antonio; Gilibert, Miquel; Giménez i Font, Xavier; González Pérez, Miguel; Sayós Ortega, Ramón
4-Jun-1998An ab initio analytical potential energy surface for the O(3P) + CS(X1Σ+) → CO(X1Σ+) + S(3P) reaction useful for kinetic and dynamical studiesGonzález Pérez, Miguel; Hijazo, J.; Novoa Vide, Juan J.; Sayós Ortega, Ramón
27-Jul-2022Efficient Routes for the Preparation of Urazole Radical Self-Assembled Monolayers on Gold SurfacesCampos Lendinez, Ángel; Crivillers, Núria; Bromley, Stefan Thomas; Rovira, Concepció; Breton, Gary W.; Mas Torrent, Marta
2003Ground- and excited-state properties of M-center oxygen vacancy aggregates in the bulk and the surface of MgODomínguez-Ariza, David; Sousa Romero, Carmen; Illas i Riera, Francesc; Ricci, Davide; Pacchioni, Gianfranco
2004Theoretical modeling of photon and electron-stimulated Na and K desorption from SiO2Domínguez-Ariza, David; López, Núria (López Alonso); Illas i Riera, Francesc; Pacchioni, Gianfranco; Madey, Theodore E.

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