Carles Curutchet
Orcid: 0000-0002-0070-1208
According to our database1,
Carles Curutchet
authored at least 9 papers
between 2001 and 2022.
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Bibliography
2022
2021
Prediction of n-octanol/water partition coefficients and acidity constants (pK<sub>a</sub>) in the SAMPL7 blind challenge with the IEFPCM-MST model.
J. Comput. Aided Mol. Des., 2021
2020
Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations.
J. Comput. Aided Mol. Des., 2020
2015
Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields.
J. Comput. Chem., 2015
2006
Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model.
J. Comput. Chem., 2006
2003
Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study.
J. Comput. Chem., 2003
J. Comput. Chem., 2003
Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations.
J. Comput. Chem., 2003
2001
J. Comput. Chem., 2001