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Artigo em Revista Científica Internacional

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

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