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Article in International Scientific Journal

1-Octanol/water partition coefficients of n-Alkanes from molecular simulations of absolute solvation free energies
Nuno M. Garrido (Author) (FEUP); António J. Queimada (Author) (FEUP); Miguel Jorge (Author) (FEUP); Eugénia A. Macedo (Author) (FEUP); Ioannis G. Economou (Author) (Other)
Water adsorption by activated carbons in relation to their microporous structure
Abdou Slasli (Author) (Other); Miguel Ângelo da Silva Jorge (Author) (FEUP); Fritz Stoeckli (Author) (Other); Nigel Seaton (Author) (Other)
Using Molecular Simulation to Predict Solvation and Partition Coefficients in Solvents of Different Polarity
Nuno M. Garrido (Author) (FEUP); Miguel Jorge (Author) (FEUP); António J. Queimada (Author) (FEUP); Eugénia A. Macedo (Author) (FEUP); Ioannis G. Economou (Author) (FEUP)
Towards an understanding of the aqueous solubility of amino acids in the presence of salts: A Molecular Dynamics simulation study
Luciana I. N. Tomé (Author) (Other); Miguel Jorge (Author) (FEUP); José R. B. Gomes (Author) (Other); João A. P. Coutinho (Author) (Other)
Solvation Free Energy Profile of the SCN- Ion across the Water–1,2-Dichloroethane Liquid/Liquid Interface. A Computer Simulation Study
Maria Darvas (Author) (Other); Miguel Jorge (Author) (FEUP); M. Natália D. S. Cordeiro (Author) (Other); Pal Jedlovszky (Author) (Other)
Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorption
Miguel Jorge (Author) (FEUP); Christian Schumacher (Author) (FEUP); Nigel A. Seaton (Author) (FEUP)
Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation
Nuno M. Garrido (Author) (FEUP); Ioannis G. Economou (Author) (Other); António J. Queimada (Author) (FEUP); Miguel Jorge (Author) (FEUP); Eugénia A. Macedo (Author) (FEUP)
Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data
Nuno M. Garrido (Author) (FEUP); Miguel Jorge (Author) (FEUP); António J. Queimada (Author) (FEUP); José R. B. Gomes (Author) (Other); Ioannis G. Economou (Author) (Other); Eugénia A. Macedo (Author) (FEUP)
Predicting adsorption of water/organic mixtures using molecular simulation
Miguel Jorge (Author) (FEUP); Nigel A. Seaton (Author) (Other)
Molecular simulation of the hydration Gibbs energy of barbiturates
Nuno M. Garrido (Author) (FEUP); Miguel Jorge (Author) (FEUP); António J. Queimada (Author) (FEUP); Ioannis G. Economou (Author) (FEUP); Eugénia A. Macedo (Author) (FEUP)
Molecular simulation of propane/propylene separation on the metal-organic framework CuBTC
Miguel Jorge (Author) (FEUP); Nabil Lamia (Author) (FEUP); Alírio E. Rodrigues (Author) (FEUP)
Molecular simulation of phase coexistence in adsorption in porous solids
Miguel Ângelo da Silva Jorge (Author) (FEUP); Nigel A. Seaton (Author) (Other)
Molecular simulation of absolute hydration Gibbs energies of polar compounds
N. M. Garrido (Author) (FEUP); A. J. Queimada (Author) (FEUP); M. Jorge (Author) (FEUP); I. G. Economou (Author) (FEUP); E. A. Macedo (Author) (FEUP)
Molecular dynamics simulation of self-assembly of n-decyltrimethylammonium bromide micelles
Miguel Jorge (Author) (FEUP)
Modelling the thermal stability of precursor nanoparticles in zeolite synthesis
Miguel Jorge (Author) (FEUP); Scott M. Auerbach (Author) (Other); Peter A. Monson (Author) (Other)
Modelling of water adsorption by activated carbons : effects of microporous structure and oxygen content
Abdou Slasli (Author) (Other); Miguel Ângelo da Silva Jorge (Author) (FEUP); Fritz Stoeckli (Author) (Other); Nigel Seaton (Author) (Other)
Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis
M. Jorge (Author) (FEUP); Scott M. Auerbach (Author) (Other); P. A. Monson (Author) (Other)
Long-Range interactions in Monte Carlo simulation of confined water
Miguel Ângelo da Silva Jorge (Author) (FEUP); Nigel Seaton (Author) (Other)
From molecules to processes: Molecular simulations applied to the design of simulated moving bed for ethane/ethylene separation
Miguel Angelo Granato (Author) (FEUP); Vanessa Duarte Martins (Author) (FEUP); João Carlos Santos (Author) (Other); Miguel Jorge (Author) (FEUP); Alírio Egídio Rodrigues (Author) (FEUP)
Effect of the integration method on the accuracy and computational efficiency of free energy calculations using thermodynamic integration
Miguel Jorge (Author) (FEUP); Nuno M. Garrido (Author) (FEUP); António J. Queimada (Author) (FEUP); Ioannis G. Economou (Author) (FEUP); Eugénia A. Macedo (Author) (FEUP)

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