Browsing by Author Jorge, Miguel

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Issue DateTitleAuthor(s)TypeAccess Type
2014Accurate Model for Predicting Adsorption of Olefins and Paraffins on MOFs with Open Metal SitesJorge, Miguel; Fischer, Michael; Gomes, Jose R. B.; Siquet, Christophe; Santos, Joao C.; Rodrigues, Alirio E.articlerestrictedAccess
2014Computational approaches to study adsorption in MOFs with unsaturated metal sitesFischer, Michael; Gomes, Jose R. B.; Jorge, MiguelarticlerestrictedAccess
2015A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10Pillai, Renjith S.; Jorge, Miguel; Gomes, Jose R. B.articlerestrictedAccess
2015A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10Pillai, Renjith S; Jorge, Miguel; Gomes, Jose R BarticlerestrictedAccess
2016Insights into CO2 and CH4 Adsorption by Pristine and Aromatic Amine-Modified Periodic Mesoporous Phenylene-SilicasLourenco, Mirtha A. O.; Siquet, Christophe; Santos, Joao; Jorge, Miguel; Gomes, Jose R. B.; Ferreira, PaulaarticlerestrictedAccess
2014Interaction of atmospheric gases with ETS-10: A DFT studyPillai, Renjith S.; Jorge, Miguel; Gomes, Jose R. B.articlerestrictedAccess
2014Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational studyGomes, Jose R. B.; Jorge, Miguel; Gomes, PaulaarticlerestrictedAccess
2016Interaction of CO2 and CH4 with Functionalized Periodic Mesoporous Phenylene-Silica: Periodic DFT Calculations and Gas Adsorption MeasurementsLourenco, Mirtha A. O.; Siquet, Christophe; Sardo, Mariana; Mafra, Luis; Pires, Joao; Jorge, Miguel; Pinto, Moises L.; Ferreira, Paula; Gomes, Jose R. B.articlerestrictedAccess
Oct-2020Mesoscale model of the synthesis of periodic mesoporous benzene-silicaGouveia, José D.; Pérez-Sánchez, Germán; Santos, Sérgio M.; Carvalho, André P.; Gomes, José R. B.; Jorge, MiguelarticleembargoedAccess
2013Modeling Self-Assembly of Silica/Surfactant Mesostructures in the Templated Synthesis of Nanoporous SolidsPerez-Sanchez, German; Gomes, Jose R. B.; Jorge, MiguelarticlerestrictedAccess
2014Molecular Simulation of the Adsorption of Methane in Engelhard Titanosilicate FrameworksPillai, Renjith S.; Gomes, Jose R. B.; Jorge, MiguelarticlerestrictedAccess
2-Mar-2017Molecular simulations of the synthesis of periodic mesoporous silica phases at high surfactant concentrationsChien, Szu-Chia; Perez-Sanchez, Germán; Gomes, José R. B.; Cordeiro, M. Natália D. S.; Jorge, Miguel; Auerbach, Scott M.; Monson, Peter A.articleopenAccess
27-Nov-2022Multiscale computational approaches toward the understanding of materialsBordonhos, Marta; Galvão, Tiago L. P.; Gomes, José R. B.; Gouveia, José D.; Jorge, Miguel; Lourenço, Mirtha A. O.; Pereira, José M.; Pérez-Sánchez, Germán; Pinto, Moisés L.; Silva, Carlos M.; Tedim, João; Zêzere, BrunoarticleopenAccess
26-Apr-2016Multiscale model for the templated synthesis of mesoporous silica: the essential role of silica oligomersPérez-Sánchez, Germán; Chien, Szu-Chia; Gomes, José R. B.; Cordeiro, M. Natália D. S.; Auerbach, Scott M.; Monson, Peter A.; Jorge, MiguelarticleopenAccess
24-Nov-2021New force-field for organosilicon molecules in the liquid phaseJorge, Miguel; Milne, Andrew W.; Barrera, Maria Cecilia; Gomes, José R. B.articleopenAccess
1-May-2019Rationalizing the phase behavior of triblock copolymers through experiments and molecular simulationsPérez-Sánchez, Germán; Vicente, Filipa A.; Schaeffer, Nicolas; Cardoso, Inês S.; Ventura, Sónia P. M.; Jorge, Miguel; Coutinho, João A. P.articleopenAccess
2013Role of the organic linker in the early stages of the templated synthesis of PMOsFutamura, Ryusuke; Jorge, Miguel; Gomes, Jose R. B.articlerestrictedAccess
2013Salting-in with a Salting-out Agent: Explaining the Cation Specific Effects on the Aqueous Solubility of Amino AcidsTome, Luciana I. N.; Pinho, Simao P.; Jorge, Miguel; Gomes, Jose R. B.; Coutinho, Joao A. P.articlerestrictedAccess
15-Jan-2021Self-consistent electrostatic embedding for liquid phase polarizationJorge, Miguel; Gomes, José R.B.; Milne, Andrew W.articleopenAccess
25-Mar-2022Sticky-MARTINI as a reactive coarse-grained model for molecular dynamics simulations of silica polymerizationCarvalho, André P.; Santos, Sérgio M.; Pérez-Sánchez, Germán; Gouveia, Daniel; Gomes, José R. B.; Jorge, MiguelarticleopenAccess