Browsing by Author Miguel Jorge

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Issue DateTitleAuthor(s)Type
2010Effect of the integration method on the accuracy and computational efficiency of free energy calculations using thermodynamic integrationMiguel Jorge; Nuno M. Garrido; António J. Queimada; Ioannis G. Economou; Eugénia A. MacedoArtigo em Revista Científica Internacional
2007Evaluation of the lipophilic properties of opiolds, amphetamine-like drugs, and metabolites through electrochemical studies at the interface between two immiscible solutionsRubin Gulaboski; Natalia N D S Cordeiro; Nuno Milhazes; Jorge Garrido; Fernanda Borges; Miguel Jorge; Carlos M Pereira; Ivan Bogeski; Aluska Helguera Morales; Blaze Naumoski; Fernando F SilvaArtigo em Revista Científica Internacional
2014FROM MOLECULES TO PROCESSES: MOLECULAR SIMULATIONS APPLIED TO THE DESIGN OF SIMULATED MOVING BED FOR ETHANE/ETHYLENE SEPARATIONMiguel A. Granato; Vanessa F.D. Martins; J. C. Santos; Miguel Jorge; Alírio RodriguesArtigo em Revista Científica Internacional
2008Gas-phase molecular structure and energetics of anionic silicatesJose R B Gomes; Natalia N D S Cordeiro; Miguel JorgeArtigo em Revista Científica Internacional
2014Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational studyJose R B Gomes; Miguel Jorge; Paula GomesArtigo em Revista Científica Internacional
2007Intrinsic structure and dynamics of the water/nitrobenzene interfaceMiguel Jorge; Natalia N D S CordeiroArtigo em Revista Científica Internacional
2006Modelling the thermal stability of precursor nanoparticles in zeolite synthesisMiguel Jorge; Scott M. Auerbach; Peter A. MonsonArtigo em Revista Científica Internacional
2008Molecular dynamics simulation of self-assembly of n-decyltrimethylammonium bromide micellesMiguel JorgeArtigo em Revista Científica Internacional
2009Molecular Dynamics Simulation of the Early Stages of the Synthesis of Periodic Mesoporous SilicaMiguel Jorge; Jose R B Gomes; M Natalia D S Cordeiro; Nigel A SeatonArtigo em Revista Científica Internacional
2008Molecular dynamics study of the interface between water and 2-nitrophenyl octyl etherMiguel Jorge; Natalia N D S CordeiroArtigo em Revista Científica Internacional
2009Molecular simulation of absolute hydration free energies of polar compoundsNuno M. Garrido; António J. Queimada; Miguel Jorge; Ioannis G. Economou; Maria Eugénia MacedoArtigo em Livro de Atas de Conferência Internacional
2010Molecular simulation of propane/propylene separation on the metal-organic framework CuBTCMiguel Jorge; Nabil Lamia; Alírio E. RodriguesArtigo em Revista Científica Internacional
2007Molecular simulation of silica/surfactant self-assembly in the synthesis of periodic mesoporous silicasMiguel Jorge; Jos R B Gomes; Natalia, M; Cordeiro, DS; Nigel A SeatonArtigo em Revista Científica Internacional
2009Molecular Simulation of the Hydration Free Energies of Substituted BarbituratesNuno M. Garrido; Miguel Jorge; António J. Queimada; Ioannis G. Economou; Maria Eugénia MacedoArtigo em Livro de Atas de Conferência Internacional
2010Molecular simulation of the hydration Gibbs energy of barbituratesNuno M. Garrido; Miguel Jorge; António J. Queimada; Ioannis G. Economou; Eugénia A. MacedoArtigo em Revista Científica Internacional
2003Predicting adsorption of water/organic mixtures using molecular simulationMiguel Jorge; Nigel A. SeatonArtigo em Revista Científica Internacional
2011Predicting 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 dataNuno M. Garrido; Miguel Jorge; António J. Queimada; José R. B. Gomes; Ioannis G. Economou; Eugénia A. MacedoArtigo em Revista Científica Internacional
2009Predicting the hydration free energy of psychotropic drugs from molecular simulationNuno M. Garrido; António J. Queimada; Miguel Jorge; Ioannis G. Economou; Maria Eugénia MacedoArtigo em Livro de Atas de Conferência Internacional
2012Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulationNuno M. Garrido; Ioannis G. Economou; António J. Queimada; Miguel Jorge; Eugénia A. MacedoArtigo em Revista Científica Internacional
2002Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorptionMiguel Jorge; Christian Schumacher; Nigel A. SeatonArtigo em Revista Científica Internacional