Solvation in octanol: parametrization of the continuum MST model. - Carles Curutchet; Modesto Orozco; F. Javier Luque (J. Comput. Chem., 2001)

Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations. - Carles Curutchet; Josep Maria Bofill; Begoña Hernández; Modesto Orozco; F. Javier Luque (J. Comput. Chem., 2003)

Electrostatic component of solvation: Comparison of SCRF continuum models. - Carles Curutchet; Christopher J. Cramer; Donald G. Truhlar; Manuel F. Ruiz-López; Daniel Rinaldi; Modesto Orozco; F. Javier Luque (J. Comput. Chem., 2003)

Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study. - Carles Curutchet; Albert Salichs; Xavier Barril; Modesto Orozco; Francisco Javier Luque (J. Comput. Chem., 2003)

Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model. - Carles Curutchet; Modesto Orozco; F. Javier Luque; Benedetta Mennucci; Jacopo Tomasi (J. Comput. Chem., 2006)

Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields. - Marie Zgarbová; Andreana M. Rosnik; F. Javier Luque; Carles Curutchet; Petr Jurecka (J. Comput. Chem., 2015)

Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations. - William J. Zamora; Silvana Pinheiro; Kilian German; Clara Pérez-Ràfols; Carles Curutchet; F. Javier Luque (J. Comput. Aided Mol. Des., 2020)

Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model. - Antonio Viayna; Silvana Pinheiro; Carles Curutchet; F. Javier Luque; William J. Zamora (J. Comput. Aided Mol. Des., 2021)

Naphthenic Acids Aggregation: The Role of Salinity. - 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 (Comput., 2022)

Extending the MST Model to Large Biomolecular Systems: Parametrization of the ddCOSMO-MST Continuum Solvation Model. - Renato D. Cunha; S. Romero-Téllez; Filippo Lipparini; F. Javier Luque; Carles Curutchet (J. Comput. Chem., 2025)