Carles Curutchet

Orcid: 0000-0002-0070-1208

According to our database1, Carles Curutchet authored at least 9 papers between 2001 and 2022.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

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

Electrostatic component of solvation: Comparison of SCRF continuum models.
J. Comput. Chem., 2003

Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations.
J. Comput. Chem., 2003

2001
Solvation in octanol: parametrization of the continuum MST model.
J. Comput. Chem., 2001


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