Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) Collection home page

Browse
Subscribe to this collection to receive daily e-mail notification of new additions RSS Feed RSS Feed RSS Feed
Collection's Items (Sorted by Submit Date in Descending order): 21 to 31 of 31
Issue DateTitleAuthor(s)
28-Sep-2021Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit SolvationPrivat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime
Sep-2019The Periodic Table - A universal icon: Its birth 150 years ago, and its popularization through literature, art and musicShaik, Sason; Cremades, Eduard; Álvarez, Santiago (Álvarez Reverter)
2019Effect of the substituents on the nature and strength of lone pair-carbonyl interactions in acyl halidesVelasquez, Juan David; Echeverría, Jorge; Álvarez, Santiago (Álvarez Reverter)
Jul-2019Marvellous molecular shapesÁlvarez, Santiago (Álvarez Reverter)
1-May-2021Slow magnetic relaxation in dinuclear dysprosium and holmium phenoxide bridged complexes: A Dy2single molecule magnet with a high energy barrierFondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M.; Sanmartín, Jesús; Gómez Coca, Silvia; Ruiz Sabín, Eliseo; Colacio, Enrique
7-Jan-2021Pd single-atom sites on the surface of PdAu nanoparticles: A DFT-based Topological search for suitable compositionsMamatkulov, Mikhail; Yudanov, Ilya; Bukhtiyarov, Andrey V.; Neyman, Konstantin M.
1-Feb-2016The conversion of CO2 to methanol on orthorhombic β-Mo2C and Cu/β-Mo2C catalysts: mechanism for admetal induced change in the selectivity and activityPosada Pérez, Sergio; Ramírez, Pedro J.; Gutiérrez, Ramón A.; Stacchiola, Dario J.; Viñes Solana, Francesc; Liu, Ping; Illas i Riera, Francesc; Rodríguez, José A.
30-Dec-2015Comment on: Exploring the potential energy landscape of the Thomson problem via Newton homotopiesBofill i Villà, Josep M.
5-Feb-2016Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine ComplexesVela Llausí, Sergi; Gourlaouen, Cristophe; Fumanal Quintana, María; Ribas Ariño, Jordi
30-Oct-2018Modeling and subtleties of K-Ras and Calmodulin interactionGarrido, Eduardo; Lázaro, Juan; Jaumot i Pijoan, Montserrat; Agell i Jané, Neus; Rubio Martínez, Jaime
21-Jul-2010Prospective role of multicenter bonding for efficient and selective hydrogen transportStradi, Daniele; Illas i Riera, Francesc; Bromley, Stefan Thomas
Collection's Items (Sorted by Submit Date in Descending order): 21 to 31 of 31