Nuno M. Garrido

1-Octanol/Water Partition Coefficients of <i>n</i>-Alkanes from Molecular Simulations of Absolute Solvation Free Energies

Nuno M. Garrido, António J. Queimada, Miguel Jorge et al. · Journal of Chemical Theory and Computation · 2009 · 127 citations

Engineering, 1-Octanol/water Partition Coefficients, Computational Chemistry +18

Effect of the Integration Method on the Accuracy and Computational Efficiency of Free Energy Calculations Using Thermodynamic Integration

Miguel Jorge, Nuno M. Garrido, António J. Queimada et al. · Journal of Chemical Theory and Computation · 2010 · 92 citations

Prediction of the <i>n</i>‐hexane/water and 1‐octanol/water partition coefficients for environmentally relevant compounds using molecular simulation

Nuno M. Garrido, Ioannis G. Economou, António J. Queimada et al. · AIChE Journal · 2011 · 48 citations

Engineering, Organic Chemistry, Computational Chemistry +17

Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity

Nuno M. Garrido, Miguel Jorge, António J. Queimada et al. · Physical Chemistry Chemical Physics · 2011 · 35 citations

Solvent Extraction, Engineering, Chemical Analysis +21

Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid

Thomas M. Koller, Javier Ramos, Nuno M. Garrido et al. · Molecular Physics · 2012 · 32 citations

Materials Science, Deep Eutectic Solvent, Solid-state Ionic +13