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| Issue Date | Title | Author(s) |
|---|---|---|
| 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 |
| 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 |
| 30-Jul-2018 | Determination of the protonation preferences of bilin pigments in cryptophyte antenna complexes | Corbella Morató, Marina; Toa, Zi. S. D.; Scholes, Gregory D.; Luque Garriga, F. Xavier; Curutchet Barat, Carles E. |
| 15-Feb-2019 | Electronic energy transfer in biomacromolecules | Cupellini, Lorenzo; Corbella Morató, Marina; Mennucci, Benedetta; Curutchet Barat, Carles E. |
| 18-Feb-2011 | Triplet-Triplet Energy Transfer in DNA: A Process that Occurs on the Nanosecond Timescale | Curutchet Barat, Carles E.; Voityuk, Alexander A. |
| 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. |
| 13-Oct-2015 | Chromophore-Protein Coupling beyond Nonpolarizable Models: Understanding Absorption in Green Fluorescent Protein | Daday, Csaba; Curutchet Barat, Carles E.; Sinicropi, Adalgisa; Mennucci, Benedetta; Filippi, Claudia |
| 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 |
| 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 |
| 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. |
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