1. Dipòsit Digital de la Universitat de Barcelona

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Results 1-10 of 12 (Search time: 0.03 seconds).
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Issue DateTitleAuthor(s)
16-Mar-2014ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surfaceGamallo Belmonte, Pablo; Prats Garcia, Hèctor; Sayós Ortega, Ramón
Oct-2016Comparing the catalytic activity of the water gas shift reaction on Cu(321) and Cu(111) surfaces: step sites do not always enhance the overall reactivityPrats Garcia, Hèctor; Gamallo Belmonte, Pablo; Illas i Riera, Francesc; Sayós Ortega, Ramón
6-May-2017Functionalization of γ-graphyne by transition metal adatomsKim, Sunkyung; Ruiz Puigdollers, Antonio; Gamallo Belmonte, Pablo; Viñes Solana, Francesc; Lee, Jin Yong
9-Nov-2020B-36 bowl-like structure as nanocarrier for sulfonamides: a theoretical studyKamalinahad, Saeedeh; Soltanabadi, Azim; Gamallo Belmonte, Pablo
2005Adsorption of atomic oxygen and nitrogen at β-cristobalite (100): a density functionaly theory studyArasa Cid, Carina; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
28-Jan-2012Classical dynamics study of atomic oxygen over graphite (0001) with new interpolated and analytical potential energy surfacesMorón Tejero, Víctor; Martin-Gondre, Ludovic; Crespos, Cédric; Larregaray, Pascal; Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
9-Aug-2020Transition metal atoms encapsulated within microporous Silicalite-1 zeolite: A systematic computational studyPrats Garcia, Hèctor; Alonso Benito, Gerard; Sayós Ortega, Ramón; Gamallo Belmonte, Pablo
2007A density functional study of atomic oxygen and nitrogen adsorption over α-alumina (0001)Gamallo Belmonte, Pablo; Sayós Ortega, Ramón
27-Nov-2012Molecular dynamics study of hydrogen atom recombination over silica, based on a new analytical DFT potential energy surfaceGamallo Belmonte, Pablo; Rutigliano, Maria; Orlandini, S.; Cacciatore, M.; Sayós Ortega, Ramón
11-Mar-2013Elementary reaction processes involving atomic and molecular oxygen on ZrB2 (0001)surfaceGamallo Belmonte, Pablo; Sayós Ortega, Ramón

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