about
Photosynthetic light-harvesting is tuned by the heterogeneous polarizable environment of the protein.Fretting about FRET: failure of the ideal dipole approximation.Quantum Chemical Studies of Light Harvesting.Structural and energetic study of cation-π-cation interactions in proteins.Electrostatic versus Resonance Interactions in Photoreceptor Proteins: The Case of Rhodopsin.Theoretical Characterization of the Spectral Density of the Water-Soluble Chlorophyll-Binding Protein from Combined Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulations.Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex.Spatial and Electronic Correlations in the PE545 Light-Harvesting Complex.The DNA-forming properties of 6-selenoguanine.On the performance of continuum solvation methods. A comment on "Universal approaches to solvation modeling".Prediction of pH-Dependent Hydrophobic Profiles of Small Molecules from Miertus-Scrocco-Tomasi Continuum Solvation Calculations.Quantum mechanical methods applied to excitation energy transfer: a comparative analysis on excitation energies and electronic couplings.Does Förster theory predict the rate of electronic energy transfer for a model dyad at low temperature?Can Förster Theory Describe Stereoselective Energy Transfer Dynamics in a Protein-Ligand Complex?Impact of Electronic Fluctuations and Their Description on the Exciton Dynamics in the Light-Harvesting Complex PE545.Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum.Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models.Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein.Energy flow in the cryptophyte PE545 antenna is directed by bilin pigment conformation.Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645.Limits and potentials of quantum chemical methods in modelling photosynthetic antennae.Molecular basis of the exciton-phonon interactions in the PE545 light-harvesting complex.Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation.Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces.Dispersion and repulsion contributions to the solvation free energy: comparison of quantum mechanical and classical approaches in the polarizable continuum model.The role of the environment in electronic energy transfer: a molecular modeling perspectiveHow solvent controls electronic energy transfer and light harvesting: toward a quantum-mechanical description of reaction field and screening effectsElectrostatic component of solvation: Comparison of SCRF continuum modelsElectronic Couplings for Resonance Energy Transfer from CCSD Calculations: From Isolated to Solvated SystemsThe Fenna-Matthews-Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM DescriptionDissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin ArraysToward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM ApproachQuantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyadA Subsystem TDDFT Approach for Solvent Screening Effects on Excitation Energy Transfer CouplingsSuperexchange-mediated electronic energy transfer in a model dyadElectronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM ModelHow Solvent Controls Electronic Energy Transfer and Light HarvestingTowards a Molecular Scale Interpretation of Excitation Energy Transfer in Solvated Bichromophoric Systems. II. The Through-Bond ContributionToward a Molecular Scale Interpretation of Excitation Energy Transfer in Solvated Bichromophoric SystemsExamining Förster Energy Transfer for Semiconductor Nanocrystalline Quantum Dot Donors and Acceptors
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description
researcher
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wetenschapper
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հետազոտող
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name
Carles Curutchet
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Carles Curutchet
@en
Carles Curutchet
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Carles Curutchet
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type
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Carles Curutchet
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Carles Curutchet
@en
Carles Curutchet
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Carles Curutchet
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Carles Curutchet
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Carles Curutchet
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Carles Curutchet
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Carles Curutchet
@nl
P214
P106
P1580
P214
P31
P496
0000-0002-0070-1208
P735
P7859
viaf-305871502