Browsing by Author Curutchet Barat, Carles E.
Showing results 8 to 27 of 36
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| Issue Date | Title | Author(s) |
|---|---|---|
| 10-Nov-2015 | Electronic Couplings for Resonance Energy Transfer from CCSD Calculations: From Isolated to Solvated Systems | Caricato, Marco; Curutchet Barat, Carles E.; Mennucci, Benedetta; Scalmani, Giovanni |
| 15-Feb-2019 | Electronic energy transfer in biomacromolecules | Cupellini, Lorenzo; Corbella Morató, Marina; Mennucci, Benedetta; Curutchet Barat, Carles E. |
| 27-Oct-2016 | Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin | Guareschi, Riccardo; Valsson, Omar; Curutchet Barat, Carles E.; Mennucci, Benedetta; Filippi, Claudia |
| 25-Apr-2013 | Energy Flow in the Cryptophyte PE545 Antenna Is Directed by Bilin Pigment Conformation | Curutchet Barat, Carles E.; Novoderezhkin, Vladimir I.; Kongsted, Jacob; Muñoz-Losa, Aurora; Van Grondelle, Rienk; Scholes, Gregory D.; Mennucci, Benedetta |
| 30-Jan-2023 | Engineering excitonically coupled dimers in an artificial protein for light harvesting via computational modeling | Curti, Mariano; Maffeis, Valentin; Teixeira Alves Duarte, Luís Gustavo; Shareef, Saeed; Hallado, Luisa Xiomara; Curutchet Barat, Carles E.; Romero, Elisabet |
| 16-Aug-2011 | Environment effects on triplet-triplet energy transfer in DNA | Curutchet Barat, Carles E.; Voityuk, Alexander A. |
| 25-May-2017 | Estudio del impacto de la polarización electrónica en interacciones biomoleculares | Pinheiro, Silvana de Souza |
| 28-Jan-2005 | Estudio teórico de efectos del entorno en sistemas químicos | Curutchet Barat, Carles E. |
| 2014 | Experiència de flexibilitat metodològica en el procés d'ensenyament-aprenentatge. El cas de l'assignatura del grau de Farmàcia 'Biomembranes: estudis fisicoquímics' | Pujol Cubells, Montserrat; Borrell Hernández, Jordi; Curutchet Barat, Carles E.; Domènech Cabrera, Òscar; García López, María Luisa; González Mira, Elisabet; Ortiz Rodrigo, Alba; Sabaté Lagunas, Raimon |
| 8-Apr-2014 | Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation | Caprasecca, Stefano; Jurinovich, Sandro; Viani, Lucas; Curutchet Barat, Carles E.; Mennucci, Benedetta |
| 21-Sep-2018 | How abasic sites impact hole transfer dynamics in GC-rich DNA sequences | Corbella Morató, Marina; Voityuk, Alexander A.; Curutchet Barat, Carles E. |
| 23-Jan-2017 | Impact of electronic fluctuations and their description on the exciton dynamics in the light-harvesting complex PE545 | Aghtar, Mortaza; Kleinekathöfer, Ulrich; Curutchet Barat, Carles E.; Mennucci, Benedetta |
| 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 |