Browsing by Author Curutchet Barat, Carles E.
Showing results 20 to 36 of 36
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| Issue Date | Title | Author(s) |
|---|---|---|
| 25-Jul-2018 | Modelització multiescala del paper de l’entorn en processos de transferència de càrrega i d’energia en biomolècules | Corbella Morató, Marina |
| 14-Aug-2014 | Molecular basis of the exciton-phonon interactions in the PE545 light-harvesting complex | Viani, Lucas; Corbella Morató, Marina; Curutchet Barat, Carles E.; O'Reilly, Edward J.; Olaya-Castro, Alexandra; Mennucci, Benedetta |
| 22-Sep-2022 | Naphthenic Acids Aggregation: The Role of Salinity | Cunha, Renato D.; Ferreira, Livia J.; Orestes, Ednilsom; Coutinho-Neto, Mauricio D.; Almeida, James M. de; Carvalho, Rogério M.; Maciel, Cleiton D.; Curutchet Barat, Carles E.; Homem-de-Mello, Paula |
| 19-Feb-2020 | On the Binding of Congo Red to Amyloid Fibrils | Espargaró Colomé, Alba; Llabrés Prat, Salomé; Saupe, Sven J.; Curutchet Barat, Carles E.; Luque Garriga, F. Xavier; Sabaté Lagunas, Raimon |
| 9-Mar-2011 | Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein | Curutchet Barat, Carles E.; Kongsted, Jacob; Muñoz-Losa, Aurora; Hossein-Nejad, Hoda; Scholes, Gregory D.; Mennucci, Benedetta |
| 20-Feb-2015 | Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum | Li, Quansong; Mennucci, Benedetta; Robb, Michael A.; Blancafort, Lluís; Curutchet Barat, Carles E. |
| 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. |
| 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; Rafols 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 |
| 25-Jan-2017 | Quantum chemical studies of light harvesting | Curutchet Barat, Carles E.; Mennucci, Benedetta |
| 2-Sep-2015 | Single Amino Acid Mutation Controls Hole Transfer Dynamics in DNA-Methyltransferase HhaI Complexes | Corbella Morató, Marina; Voityuk, Alexander A.; Curutchet Barat, Carles E. |
| 7-Feb-2013 | Spatial and Electronic Correlations in the PE545 Light-Harvesting Complex | Viani, Lucas; Curutchet Barat, Carles E.; Mennucci, Benedetta |
| 3-Jun-2019 | Spectral variability in phycocyanin cryptophyte antenna complexes is controlled by changes in the α‐polypeptide chains | Corbella Morató, Marina; Cupellini, Lorenzo; Lipparini, Filippo; Scholes, Gregory D.; Curutchet Barat, Carles E. |
| 21-Apr-2017 | Structural and energetic study of cation-p-cation interactions in proteins | Pinheiro, Silvana de Souza; Soteras, Ignacio; Gelpí Buchaca, Josep Lluís; Dehez, François; Chipot, Christophe; Luque Garriga, F. Xavier; Curutchet Barat, Carles E. |
| 8-Dec-2015 | Theoretical characterization of the spectral density of the water-soluble chlorophyll-binding protein from combined quantum mechanics/molecular mechanics molecular dynamics simulations | Rosnik, Andreana M. R; Curutchet Barat, Carles E. |
| 1-Nov-2012 | Toward a unified modeling of environment and bridge-mediated contributions to electronic energy transfer: A fully polarizable QM/MM/PCM approach | Caprasecca, Stefano; Curutchet Barat, Carles E.; Mennucci, Benedetta |
| 18-Feb-2011 | Triplet-Triplet Energy Transfer in DNA: A Process that Occurs on the Nanosecond Timescale | Curutchet Barat, Carles E.; Voityuk, Alexander A. |