Browsing by Subject Química de superfícies

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Issue DateTitleAuthor(s)
1985Ab initio cluster-model study of the on-top chemisorption of F and Cl on Si(111) and Ge(111) surfacesIllas i Riera, Francesc; Rubio Martínez, Jaime; Ricart, Josep M.
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
1999Adsorption kinetics in the presence of external fieldsPagonabarraga Mora, Ignacio; Bafaluy Bafaluy, Javier; Rubí Capaceti, José Miguel
2000Alignment of hexatic langmuir monolayers under shearIgnés i Mullol, Jordi; Schwartz, Daniel K.
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
1998An analytical representation of the ground potential energy surface (2A') of the H + Cl2 → HCl + Cl and Cl + HCl → HCl + Cl reactions, based on ab initio calculationsGonzález Pérez, Miguel; Hijazo, J.; Novoa Vide, Juan J.; Sayós Ortega, Ramón
Jun-2017Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative casePueyo Bellafont, Noèlia; Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
2003Bonding of gold nanoclusters to oxygen vacancies on rutile TiO2(110)Wahlstrom, E.; López, Núria (López Alonso); Schaub, R.; Tostrup, P.; Rønnau, A.; Africh, C.; Nørskov, Jens K.; Laegsgaard, E.; Besenbacher, F.
11-Aug-2014Characterization of a robust Co-II fluorescent complex deposited intact on HOPGHeras Ojea, M. J.; Maneru, Daniel Reta; Rosado Piquer, Lidia; Rubio Zuazo, Juan; Castro, German R.; Tewary, Subrata; Rajaraman, Gopalan; Aromí Bedmar, Guillem; Jiménez Romero, Erika; Sañudo Zotes, Eva Carolina
21-Jun-2018Chemical Leslie effect in Langmuir monolayers: a complete experimental characterizationBunel, Felix; Ignés i Mullol, Jordi; Sagués i Mestre, Francesc; Oswald, Patrick
1988Chemisorption of atomic aluminum on Si(111): Evidence for an adsorbate-induced relaxation based on ab initio cluster-model calculationsRubio Martínez, Jaime; Illas i Riera, Francesc; Ricart, Josep M.
1990Chemisorption of group-III metals on the Si(111) and Ge(111) surfaces: An ab initio studyRicart, Josep M.; Rubio Martínez, Jaime; Illas i Riera, Francesc
22-Feb-2012Chiral-symmetry selection in soft monolayers under vortical flowPetit Garrido, Núria; Claret Bonet, Josep; Ignés i Mullol, Jordi; Farrera, Joan Anton; Sagués i Mestre, Francesc
2011Coexistence of Two Kinds of Fluorinated Hydrogenated Micelles as Building Blocks for the Design of Bimodal Mesoporous Silica with Two Ordered Mesopore NetworksMay Masnou, Anna; Stébé, Marie José; Gutiérrez González, José María, 1953-; Blin, Jean Luc
Jun-2016Coinage and Pt-group metal surfaces stabilityRuvireta Jurado, Judit
29-Oct-2012Construction of versatile biomolecule nano-platforms via Dip-pen Nanolithography and their application in bio-sensing and cell differentiationOberhansl, Sabine
4-Jul-2022Design and Engineering of Advanced Cathode Hosts for Lithium-Sulfur BatteriesZhang, Chaoqi
Jun-1997Design of surface forces apparatus for tribology studies combined with nonlinear optical spectroscopyFrantz, P.; Wolf, F.; Xiao, X.; Chen, Yu; Bosch i Puig, Salvador; Salmeron, Miquel
15-Nov-2018Diversity of adsorbed hydrogen on the TiC (001) surface at high coveragesPiñero Vargas, Juan José; Ramírez, Pedro J.; Bromley, Stefan Thomas; Illas i Riera, Francesc; Viñes Solana, Francesc; Rodríguez, José A.
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