עקוב אחר
Nuno Garrido
Nuno Garrido
University Of Porto
כתובת אימייל מאומתת בדומיין galp.com
כותרת
צוטט על ידי
צוטט על ידי
שנה
1-octanol/water partition coefficients of n-alkanes from molecular simulations of absolute solvation free energies
NM Garrido, AJ Queimada, M Jorge, EA Macedo, IG Economou
Journal of Chemical Theory and Computation 5 (9), 2436-2446, 2009
1432009
Effect of the integration method on the accuracy and computational efficiency of free energy calculations using thermodynamic integration
M Jorge, NM Garrido, AJ Queimada, IG Economou, EA Macedo
Journal of Chemical Theory and Computation 6 (4), 1018-1027, 2010
892010
Prediction of the n‐hexane/water and 1‐octanol/water partition coefficients for environmentally relevant compounds using molecular simulation
NM Garrido, IG Economou, AJ Queimada, M Jorge, EA Macedo
AIChE Journal 58 (6), 1929-1938, 2012
542012
Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarity
NM Garrido, M Jorge, AJ Queimada, EA Macedo, IG Economou
Physical Chemistry Chemical Physics 13 (20), 9155-9164, 2011
382011
Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid
T Koller, J Ramos, NM Garrido, AP Fröba, IG Economou
Molecular Physics 110 (11-12), 1115-1126, 2012
322012
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 …
NM Garrido, M Jorge, AJ Queimada, JRB Gomes, IG Economou, ...
Physical Chemistry Chemical Physics 13 (38), 17384-17394, 2011
292011
Modelling of phase equilibria of glycol ethers mixtures using an association model
NM Garrido, GK Folas, GM Kontogeorgis
Fluid Phase Equilibria 273 (1-2), 11-20, 2008
232008
Molecular simulation of absolute hydration Gibbs energies of polar compounds
NM Garrido, AJ Queimada, M Jorge, IG Economou, EA Macedo
Fluid Phase Equilibria 296 (2), 110-115, 2010
212010
Molecular simulation of the hydration Gibbs energy of barbiturates
NM Garrido, M Jorge, AJ Queimada, IG Economou, EA Macedo
Fluid Phase Equilibria 289 (2), 148-155, 2010
212010
Predicting hydrophobic solvation by molecular simulation: 1. Testing united‐atom alkane models
M Jorge, NM Garrido, CJV Simões, CG Silva, RMM Brito
Journal of computational chemistry 38 (6), 346-358, 2017
152017
Prediction of microscopic structure and physical properties of complex fluid mixtures based on molecular simulation
IG Economou, NM Garrido, ZA Makrodimitri
Fluid Phase Equilibria 296 (2), 125-132, 2010
132010
A-UNIFAC modelling of binary and multicomponent phase equilibria of fatty esters+ water+ methanol+ glycerol
NM Garrido, O Ferreira, R Lugo, JC Hemptinne, EA Macedo, SB Bottini
VIII Iberoamerican Conference on Phase Equilibria and Fluid Properties for …, 2009
32009
Development of the TraPPE-CG force field
JI Siepmann, KA Maerzke, NMF Garrido, IG Economou
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 241, 2011
2011
Erratum to “Prediction of microscopic structure and physical properties of complex fluid mixtures based on molecular simulation”[Fluid Phase Equilibria. 296 (2010) 125–132]
IG Economou, NM Garrido, ZA Makrodimitri
Fluid Phase Equilibria 2 (299), 304, 2010
2010
Molecular Simulation of the Hydration Free Energies of Substituted Barbiturates
NM Garrido, M Jorge, AJ Queimada, IG Economou, ME Macedo
24th European Symposium on Applied Thermodynamics, 2009
2009
Molecular simulation of absolute hydration free energies of polar compounds
NM Garrido, AJ Queimada, M Jorge, IG Economou, ME Macedo
VIII Iberoamerican Conference on Phase Equilibra and Fluid Properties for …, 2009
2009
Predicting the hydration free energy of psychotropic drugs from molecular simulation
NM Garrido, AJ Queimada, M Jorge, IG Economou, ME Macedo
VIII Iberoamerican Conference on Phase Equilibra and Fluid Properties for …, 2009
2009
Phase equilibria of cyclic, straight chain and aromatic dicarboxylic acids
AJ Queimada, NM Garrido, ME Macedo
VIII Iberoamerican Conference on Phase Equilibra and Fluid Properties for …, 2009
2009
המערכת אינה יכולה לבצע את הפעולה כעת. נסה שוב מאוחר יותר.
מאמרים 1–18