Ioannis G. Economou
AuthID: R-006-KE2
1
TITLE: Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation Full Text
AUTHORS: Nuno M Garrido; Ioannis G Economou; Antonio J Queimada; Miguel Jorge; Eugenia A Macedo ;
PUBLISHED: 2012, SOURCE: AICHE JOURNAL, VOLUME: 58, ISSUE: 6
AUTHORS: Nuno M Garrido; Ioannis G Economou; Antonio J Queimada; Miguel Jorge; Eugenia A Macedo ;
PUBLISHED: 2012, SOURCE: AICHE JOURNAL, VOLUME: 58, ISSUE: 6
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TITLE: Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid Full Text
AUTHORS: Thomas M Koller; Javier Ramos; Nuno M Garrido; Andreas P Froeba; Ioannis G Economou;
PUBLISHED: 2012, SOURCE: Thermodynamics Conference in MOLECULAR PHYSICS, VOLUME: 110, ISSUE: 11-12
AUTHORS: Thomas M Koller; Javier Ramos; Nuno M Garrido; Andreas P Froeba; Ioannis G Economou;
PUBLISHED: 2012, SOURCE: Thermodynamics Conference in MOLECULAR PHYSICS, VOLUME: 110, ISSUE: 11-12
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TITLE: Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity Full Text
AUTHORS: Nuno M Garrido; Miguel Jorge; Antonio J Queimada; Eugenia A Macedo ; Ioannis G Economou;
PUBLISHED: 2011, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 13, ISSUE: 20
AUTHORS: Nuno M Garrido; Miguel Jorge; Antonio J Queimada; Eugenia A Macedo ; Ioannis G Economou;
PUBLISHED: 2011, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 13, ISSUE: 20
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TITLE: 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 Full Text
AUTHORS: Nuno M Garrido; Miguel Jorge; Antonio J Queimada; Jose R B Gomes ; Ioannis G Economou; Eugenia A Macedo ;
PUBLISHED: 2011, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 13, ISSUE: 38
AUTHORS: Nuno M Garrido; Miguel Jorge; Antonio J Queimada; Jose R B Gomes ; Ioannis G Economou; Eugenia A Macedo ;
PUBLISHED: 2011, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 13, ISSUE: 38
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TITLE: Prediction of microscopic structure and physical properties of complex fluid mixtures based on molecular simulation (vol 296, pg 125, 2010) Full Text
AUTHORS: Ioannis G Economou; Nuno M Garrido; Zoi A Makrodimitri;
PUBLISHED: 2010, SOURCE: FLUID PHASE EQUILIBRIA, VOLUME: 299, ISSUE: 2
AUTHORS: Ioannis G Economou; Nuno M Garrido; Zoi A Makrodimitri;
PUBLISHED: 2010, SOURCE: FLUID PHASE EQUILIBRIA, VOLUME: 299, ISSUE: 2
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TITLE: Molecular simulation of absolute hydration Gibbs energies of polar compounds Full Text
AUTHORS: Garrido, NM; Queimada, AJ; Jorge, M; Economou, IG; Macedo, EA ;
PUBLISHED: 2010, SOURCE: 8th Ibero-American Conference on Phase Equilibria and Fluid Properties for Process Design in FLUID PHASE EQUILIBRIA, VOLUME: 296, ISSUE: 2
AUTHORS: Garrido, NM; Queimada, AJ; Jorge, M; Economou, IG; Macedo, EA ;
PUBLISHED: 2010, SOURCE: 8th Ibero-American Conference on Phase Equilibria and Fluid Properties for Process Design in FLUID PHASE EQUILIBRIA, VOLUME: 296, ISSUE: 2
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TITLE: Effect of the Integration Method on the Accuracy and Computational Efficiency of Free Energy Calculations Using Thermodynamic Integration Full Text
AUTHORS: Miguel Jorge; Nuno M Garrido; Antonio J Queimada; Ioannis G Economou; Eugenia A Macedo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 6, ISSUE: 4
AUTHORS: Miguel Jorge; Nuno M Garrido; Antonio J Queimada; Ioannis G Economou; Eugenia A Macedo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 6, ISSUE: 4
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TITLE: Molecular simulation of the hydration Gibbs energy of barbiturates Full Text
AUTHORS: Nuno M Garrido; Miguel Jorge; Antonio J Queimada; Ioannis G Economou; Eugenia A Macedo ;
PUBLISHED: 2010, SOURCE: FLUID PHASE EQUILIBRIA, VOLUME: 289, ISSUE: 2
AUTHORS: Nuno M Garrido; Miguel Jorge; Antonio J Queimada; Ioannis G Economou; Eugenia A Macedo ;
PUBLISHED: 2010, SOURCE: FLUID PHASE EQUILIBRIA, VOLUME: 289, ISSUE: 2
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TITLE: Erratum to “Prediction of microscopic structure and physical properties of complex fluid mixtures based on molecular simulation” [Fluid Phase Equilibria. 296 (2010) 125–132] Full Text
AUTHORS: Ioannis G Economou; Nuno M Garrido; Zoi A Makrodimitri;
PUBLISHED: 2010, SOURCE: Fluid Phase Equilibria, VOLUME: 299, ISSUE: 2
AUTHORS: Ioannis G Economou; Nuno M Garrido; Zoi A Makrodimitri;
PUBLISHED: 2010, SOURCE: Fluid Phase Equilibria, VOLUME: 299, ISSUE: 2
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