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Issue DateTitleAuthor(s)
1989The Gibbs free energy of formation of a glass alloyClavaguera-Mora, M. T.; Clavaguera, N. (Clavaguera Plaja)
19-Sep-2011The configurational energy gap between amorphous and crystalline siliconKail, F.; Farjas Silva, Jordi; Roura Grabulosa, Pere; Secouard, C.; Nos Aguilà, Oriol; Bertomeu i Balagueró, Joan; Roca i Cabarrocas, P. (Pere)
27-May-2022Determination of thermodynamic properties for the esterification of levulinic acid with 1-buteneCanadell Soler, Eloi; Badia i Córcoles, Jordi Hug; Ramírez Rangel, Eliana; Fité Piquer, Carles; Iborra Urios, Montserrat; Tejero Salvador, Xavier
16-Mar-2014ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surfaceGamallo Belmonte, Pablo; Prats Garcia, Hèctor; Sayós Ortega, Ramón
27-May-2022Determination of thermodynamic properties for the esterification of levulinic acid with 1-buteneCanadell Soler, Eloi; Badia i Córcoles, Jordi Hug; Ramírez Rangel, Eliana; Fité Piquer, Carles; Iborra Urios, Montserrat; Tejero Salvador, Xavier
22-Sep-2011Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surfaceMorón Tejero, Víctor; Gamallo Belmonte, Pablo; Martin-Gondre, Ludovic; Crespos, Cédric; Larregaray, Pascal; 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