Carles Curutchet

Publication Activity (10 Years)

Years Active: 2001-2022
Publications (10 Years): 4

Top Topics

Meteorological Data

Parameter Values

Design Parameters

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

Publications

Renato D. Cunha, Livia J. Ferreira, Ednilsom Orestes, Mauricio D. Coutinho-Neto, James M. de Almeida, Rogério M. Carvalho, Cleiton D. Maciel, Carles Curutchet, Paula Homem-de-Mello
Naphthenic Acids Aggregation: The Role of Salinity. Comput. 10 (10) (2022)
Antonio Viayna, Silvana Pinheiro, Carles Curutchet, F. Javier Luque, William J. Zamora
) in the SAMPL7 blind challenge with the IEFPCM-MST model. J. Comput. Aided Mol. Des. 35 (7) (2021)
William J. Zamora, Silvana Pinheiro, Kilian German, Clara Ràfols, Carles Curutchet, F. Javier Luque
Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations. J. Comput. Aided Mol. Des. 34 (4) (2020)
Marie Zgarbová, Andreana M. Rosnik, F. Javier Luque, Carles Curutchet, Petr Jurecka
Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields. J. Comput. Chem. 36 (25) (2015)
Carles Curutchet, Modesto Orozco, F. Javier Luque, Benedetta Mennucci, Jacopo Tomasi
Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model. J. Comput. Chem. 27 (15) (2006)
Carles Curutchet, Christopher J. Cramer, Donald G. Truhlar, Manuel F. Ruiz-López, Daniel Rinaldi, Modesto Orozco, F. Javier Luque
Electrostatic component of solvation: Comparison of SCRF continuum models. J. Comput. Chem. 24 (3) (2003)
Carles Curutchet, Albert Salichs, Xavier Barril, Modesto Orozco, Francisco Javier Luque
Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study. J. Comput. Chem. 24 (1) (2003)
Carles Curutchet, Josep Maria Bofill, Begoña Hernández, Modesto Orozco, F. Javier Luque
Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations. J. Comput. Chem. 24 (10) (2003)
Carles Curutchet, Modesto Orozco, F. Javier Luque
Solvation in octanol: parametrization of the continuum MST model. J. Comput. Chem. 22 (11) (2001)