Adsorption of propane, propylene and isobutane on a metal–organic framework: Molecular simulation and experiment N Lamia, M Jorge, MA Granato, FAA Paz, H Chevreau, AE Rodrigues Chemical Engineering Science 64 (14), 3246-3259, 2009 | 265 | 2009 |
Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorption M Jorge, C Schumacher, NA Seaton Langmuir 18 (24), 9296-9306, 2002 | 204 | 2002 |
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 | 143 | 2009 |
Intrinsic structure and dynamics of the water/nitrobenzene interface M Jorge, MNDS Cordeiro The Journal of Physical Chemistry C 111 (47), 17612-17626, 2007 | 137 | 2007 |
Molecular Dynamics Simulation of Self-Assembly of n-Decyltrimethylammonium Bromide Micelles M Jorge Langmuir 24 (11), 5714-5725, 2008 | 125 | 2008 |
A critical assessment of methods for the intrinsic analysis of liquid interfaces. 1. Surface site distributions M Jorge, P Jedlovszky, MNDS Cordeiro The Journal of Physical Chemistry C 114 (25), 11169-11179, 2010 | 115 | 2010 |
Salting-in with a salting-out agent: explaining the cation specific effects on the aqueous solubility of amino acids LIN Tomé, SP Pinho, M Jorge, JRB Gomes, JAP Coutinho The Journal of Physical Chemistry B 117 (20), 6116-6128, 2013 | 103 | 2013 |
Evaluation of the lipophilic properties of opioids, amphetamine-like drugs, and metabolites through electrochemical studies at the interface between two immiscible solutions R Gulaboski, MNDS Cordeiro, N Milhazes, J Garrido, F Borges, M Jorge, ... Analytical biochemistry 361 (2), 236-243, 2007 | 102 | 2007 |
Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis M Jorge, SM Auerbach, PA Monson Journal of the American Chemical Society 127 (41), 14388-14400, 2005 | 101 | 2005 |
Computational approaches to study adsorption in MOFs with unsaturated metal sites M Fischer, JRB Gomes, M Jorge Molecular Simulation 40 (7-9), 537-556, 2014 | 99 | 2014 |
Modeling adsorption in metal–organic frameworks with open metal sites: propane/propylene separations M Fischer, JRB Gomes, M Fröba, M Jorge Langmuir 28 (22), 8537-8549, 2012 | 99 | 2012 |
The generalized identification of truly interfacial molecules (ITIM) algorithm for nonplanar interfaces M Sega, SS Kantorovich, P Jedlovszky, M Jorge The Journal of chemical physics 138 (4), 2013 | 98 | 2013 |
Molecular simulation of propane/propylene separation on the metal–organic framework CuBTC M Jorge, N Lamia, AE Rodrigues Colloids and Surfaces A: Physicochemical and Engineering Aspects 357 (1-3 …, 2010 | 94 | 2010 |
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 | 91 | 2010 |
Understanding gas adsorption selectivity in IRMOF-8 using molecular simulation RS Pillai, ML Pinto, J Pires, M Jorge, JRB Gomes ACS applied materials & interfaces 7 (1), 624-637, 2015 | 84 | 2015 |
Water adsorption by activated carbons in relation to their microporous structure AM Slasli, M Jorge, F Stoeckli, NA Seaton Carbon 41 (3), 479-486, 2003 | 79 | 2003 |
Molecular dynamics simulation studies of the interactions between ionic liquids and amino acids in aqueous solution LIN Tomé, M Jorge, JRB Gomes, JAP Coutinho The Journal of Physical Chemistry B 116 (6), 1831-1842, 2012 | 78 | 2012 |
A systematic molecular simulation study of ionic liquid surfaces using intrinsic analysis methods G Hantal, I Voroshylova, MNDS Cordeiro, M Jorge Physical Chemistry Chemical Physics 14 (15), 5200-5213, 2012 | 74 | 2012 |
A critical assessment of methods for the intrinsic analysis of liquid interfaces: 2. Density profiles M Jorge, G Hantal, P Jedlovszky, MNDS Cordeiro The Journal of Physical Chemistry C 114 (43), 18656-18663, 2010 | 74 | 2010 |
Modelling of water adsorption by activated carbons: effects of microporous structure and oxygen content AM Slasli, M Jorge, F Stoeckli, NA Seaton Carbon 42 (10), 1947-1952, 2004 | 72 | 2004 |