1. Dipòsit Digital de la Universitat de Barcelona

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Results 1-10 of 14 (Search time: 0.036 seconds).
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Issue DateTitleAuthor(s)
22-Mar-2006Estudio teórico sobre la influencia del solvente en la estructura y dinámica del ADNRueda Borrego, Manuel
28-Jan-2005Estudio teórico de efectos del entorno en sistemas químicosCurutchet Barat, Carles E.
10-Jul-2021Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST modelViayna Gaza, Antonio; Pinheiro, Silvana de Souza; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier; Zamora Ramírez, William J.
10-Jun-2019Editorial of virtual special issue Frontiers in Water Biophysics 2017Paolantoni, Marco; Cesàro, Attilio; Comez, Lucia; Franzese, Giancarlo
12-Jun-2023Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation modelsZamora Ramírez, William J.; Viayna Gaza, Antonio; Pinheiro, Silvana de Souza; Curutchet Barat, Carles E.; Bisbal, Laia; Ruiz, Rebeca; Ràfols Llach, Clara; Luque Garriga, F. Xavier
27-Nov-2019Prediction of the n‑octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculationsZamora Ramírez, William J.; Pinheiro, Silvana de Souza; German, Kilian; Ràfols Llach, Clara; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier
31-Mar-2023Effect of the solvent on the chromatographic selectivity in reversed-phase and HILICSubirats i Vila, Xavier; Casanovas, Laura; Redón, Lídia; Rosés Pascual, Martí
30-Oct-2023Prediction of partition coefficients for systems of micelles using DFTSaranjam, Leila
25-Feb-2019Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studiesGinex, Tiziana; Vázquez, Javier; Gibert, Enric; Herrero, Enric; Luque Garriga, F. Xavier
9-Oct-2023Characterization of solute-solvent interactions in liquid chromatography systems: A fast method based on Abraham's linear solvation energy relationshipsRedón, Lídia; Beiranvand, Mahmoud Safar; Subirats i Vila, Xavier; Rosés Pascual, Martí

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