Carles Curutchet

发表

Geometry Optimization in Polarizable QM/MM Models: The Induced Dipole Formulation.

Benedetta Mennucci, Sandro Jurinovich, Stefano Caprasecca, 2014, Journal of chemical theory and computation.

Electrostatic component of solvation: Comparison of SCRF continuum models

Manuel F. Ruiz-López, F. Javier Luque, F. J. Luque, 2003, J. Comput. Chem..

Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields

F. Javier Luque, F. J. Luque, Carles Curutchet, 2015, J. Comput. Chem..

Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO‐based MST study

F. Javier Luque, Xavier Barril, F. J. Luque, 2003, J. Comput. Chem..

Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model

Jacopo Tomasi, F. Javier Luque, F. J. Luque, 2006, J. Comput. Chem..

Solvation in octanol: parametrization of the continuum MST model

F. Javier Luque, F. J. Luque, Modesto Orozco, 2001, J. Comput. Chem..

Resonance energy transfer: Beyond the limits

Gregory D. Scholes, David L. Andrews, Carles Curutchet, 2011 .

Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations

F. Javier Luque, F. J. Luque, Modesto Orozco, 2003, J. Comput. Chem..

Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model

Carles Curutchet, Antonio Viayna, William J. Zamora, 2021, Journal of Computer-Aided Molecular Design.

Does Förster theory predict the rate of electronic energy transfer for a model dyad at low temperature?

David Beljonne, Benedetta Mennucci, Carles Curutchet, 2008, The journal of physical chemistry. B.

Extension of the MST model to the IEF formalism: HF and B3LYP parametrizations

F. Javier Luque, F. J. Luque, Modesto Orozco, 2005 .

Derivation of Distributed Models of Atomic Polarizability for Molecular Simulations.

Christophe Chipot, Modesto Orozco, Carles Curutchet, 2007, Journal of chemical theory and computation.

Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein.

Benedetta Mennucci, Carles Curutchet, Claudia Filippi, 2015, Journal of chemical theory and computation.

Dissecting the Nature of Exciton Interactions in Ethyne-Linked Tetraarylporphyrin Arrays

Benedetta Mennucci, Stefano Caprasecca, Carles Curutchet, 2013 .

Excitation dynamics in Phycoerythrin 545: modeling of steady-state spectra and transient absorption with modified Redfield theory.

Carles Curutchet, Gregory D Scholes, Rienk van Grondelle, 2010, Biophysical journal.

How solvent controls electronic energy transfer and light harvesting: toward a quantum-mechanical description of reaction field and screening effects.

Roberto Cammi, Benedetta Mennucci, Carles Curutchet, 2007, The journal of physical chemistry. B.

The role of the environment in electronic energy transfer: a molecular modeling perspective.

Benedetta Mennucci, Carles Curutchet, C. Curutchet, 2011, Physical chemistry chemical physics : PCCP.

Beyond Förster resonance energy transfer in biological and nanoscale systems.

David Beljonne, Carles Curutchet, Gregory D Scholes, 2009, The journal of physical chemistry. B.

Quantum Chemical Studies of Light Harvesting.

Benedetta Mennucci, Carles Curutchet, C. Curutchet, 2017, Chemical reviews.

Continuum solvation models: Dissecting the free energy of solvation

F. Javier Luque, F. J. Luque, Modesto Orozco, 2003 .

Fretting about FRET: failure of the ideal dipole approximation.

Benedetta Mennucci, Carles Curutchet, Brent P Krueger, 2009, Biophysical journal.

Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes.

Sergei Tretiak, Carles Curutchet, Gregory D Scholes, 2009, The Journal of chemical physics.

How solvent controls electronic energy transfer and light harvesting.

Jacopo Tomasi, Roberto Cammi, Benedetta Mennucci, 2007, The journal of physical chemistry. B.

Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach.

Benedetta Mennucci, Stefano Caprasecca, Carles Curutchet, 2012, Journal of chemical theory and computation.

Prediction of Conformational Free Energy Differences of Solutes in Solution∶ An MC-MST Study

Modesto Orozco, Begoña Hernández, Carles Curutchet, 2002 .