Browsing by Author Mennucci, Benedetta
Showing results 8 to 15 of 15
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Issue Date | Title | Author(s) |
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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 |
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 |
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 |
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. |
25-Jan-2017 | Quantum chemical studies of light harvesting | Curutchet Barat, Carles E.; Mennucci, Benedetta |
7-Feb-2013 | Spatial and Electronic Correlations in the PE545 Light-Harvesting Complex | 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 |