Issue Date | Title | Author(s) |
9-Oct-2023 | Characterization of solute-solvent interactions in liquid chromatography systems: A fast method based on Abraham's linear solvation energy relationships | Redón, Lídia; Beiranvand, Mahmoud Safar; Subirats i Vila, Xavier; Rosés Pascual, Martí |
10-Jun-2019 | Editorial of virtual special issue Frontiers in Water Biophysics 2017 | Paolantoni, Marco; Cesàro, Attilio; Comez, Lucia; Franzese, Giancarlo |
31-Mar-2023 | Effect of the solvent on the chromatographic selectivity in reversed-phase and HILIC | Subirats i Vila, Xavier; Casanovas, Laura; Redón, Lídia; Rosés Pascual, Martí |
28-Jan-2005 | Estudio teórico de efectos del entorno en sistemas químicos | Curutchet Barat, Carles E. |
22-Mar-2006 | Estudio teórico sobre la influencia del solvente en la estructura y dinámica del ADN | Rueda Borrego, Manuel |
1-Jun-2023 | Evaluating Adsorbate-Solvent Interactions: Are Dispersion Corrections Necessary? | Romeo, Eleonora; Illas i Riera, Francesc; Calle Vallejo, Federico |
30-Jun-2023 | Evaluation of the Ability of PAMPA Membranes to Emulate Biological Processes through the Abraham Solvation Parameter Model | Soriano-Meseguer, Sara; Fuguet i Jordà, Elisabet; Port, Adriana; Rosés Pascual, Martí |
11-Jan-2025 | Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model | Cunha, Renato D.; Romero-Téllez, S.; Lipparini, Filippo; Luque Garriga, F. Xavier; Curutchet Barat, Carles E. |
25-Feb-2019 | Lipophilicity in drug design: an overview of lipophilicity descriptors in 3D-QSAR studies | Ginex, Tiziana; Vázquez, Javier; Gibert, Enric; Herrero, Enric; Luque Garriga, F. Xavier |
10-Jul-2021 | Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model | Viayna Gaza, Antonio; Pinheiro, Silvana de Souza; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier; Zamora Ramírez, William J. |
30-Oct-2023 | Prediction of partition coefficients for systems of micelles using DFT | Saranjam, Leila |
27-Nov-2019 | Prediction of the n‑octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations | Zamora Ramírez, William J.; Pinheiro, Silvana de Souza; German, Kilian; Ràfols Llach, Clara; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier |
12-Jun-2023 | Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models | Zamora 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 |
28-Apr-2024 | Time-resolved solvation of alkali ions in superfluid helium nanodroplets | García-Alfonso, Ernesto; Barranco Gómez, Manuel; Halberstadt, Nadine; Pi Pericay, Martí |