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Journal of Computational Chemistry|July 31, 2015
Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fieldsMarie Zgarbová, Andreana M Rosnik, F Javier Luque, et al.Journal of Computer-Aided Molecular Design|July 10, 2021
Prediction of n-octanol/water partition coefficients and acidity constants (pK<sub>a</sub>) in the SAMPL7 blind challenge with the IEFPCM-MST modelAntonio Viayna, Silvana Pinheiro, Carles Curutchet, et al.Journal of Molecular Graphics & Modelling|April 2, 2023
Benchmarking DFT functionals for photophysics of pyranoflavylium cationsJhonathan R Souza, Carles Curutchet, Yuri A Aoto, et al.The Journal of Physical Chemistry. B|July 21, 2006
MST continuum study of the hydration free energies of monovalent ionic speciesCarles Curutchet, Axel Bidon-Chanal, Ignaci Soteras, et al.Biophysical Journal|June 17, 2009
Fretting about FRET: failure of the ideal dipole approximationAurora Muñoz-Losa, Carles Curutchet, Brent P Krueger, et al.Physical Chemistry Chemical Physics : PCCP|August 15, 2018
Determination of the protonation preferences of bilin pigments in cryptophyte antenna complexesMarina Corbella, Zi S D Toa, Gregory D Scholes, et al.Angewandte Chemie (International Ed. in English)|February 20, 2020
On the Binding of Congo Red to Amyloid FibrilsAlba Espargaró, Salomé Llabrés, Sven J Saupe, et al.Journal of Chemical Theory and Computation|November 27, 2015
Electronic Energy Transfer in Condensed Phase Studied by a Polarizable QM/MM ModelCarles Curutchet, Aurora Muñoz-Losa, Susanna Monti, et al.Journal of Computer-Aided Molecular Design|November 29, 2019
Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculationsWilliam J Zamora, Silvana Pinheiro, Kilian German, et al.Physical Chemistry Chemical Physics : PCCP|July 1, 2014
Molecular basis of the exciton-phonon interactions in the PE545 light-harvesting complexLucas Viani, Marina Corbella, Carles Curutchet, et al.Pageof 7