Showing results 1 to 20 of 27
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| Issue Date | Title | Author(s) | Type | Access Type |
| 2014 | Accurate Model for Predicting Adsorption of Olefins and Paraffins on MOFs with Open Metal Sites | Jorge, Miguel; Fischer, Michael; Gomes, Jose R. B.; Siquet, Christophe; Santos, Joao C.; Rodrigues, Alirio E. | article |  |
| 2014 | Computational approaches to study adsorption in MOFs with unsaturated metal sites | Fischer, Michael; Gomes, Jose R. B.; Jorge, Miguel | article | |
| 2015 | A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10 | Pillai, Renjith S; Jorge, Miguel; Gomes, Jose R B | article | |
| 2015 | A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10 | Pillai, Renjith S.; Jorge, Miguel; Gomes, Jose R. B. | article | |
| 2016 | Insights into CO2 and CH4 Adsorption by Pristine and Aromatic Amine-Modified Periodic Mesoporous Phenylene-Silicas | Lourenco, Mirtha A. O.; Siquet, Christophe; Santos, Joao; Jorge, Miguel; Gomes, Jose R. B.; Ferreira, Paula | article | |
| 2014 | Interaction of atmospheric gases with ETS-10: A DFT study | Pillai, Renjith S.; Jorge, Miguel; Gomes, Jose R. B. | article | |
| 2014 | Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational study | Gomes, Jose R. B.; Jorge, Miguel; Gomes, Paula | article | |
| 2016 | Interaction of CO2 and CH4 with Functionalized Periodic Mesoporous Phenylene-Silica: Periodic DFT Calculations and Gas Adsorption Measurements | Lourenco, Mirtha A. O.; Siquet, Christophe; Sardo, Mariana; Mafra, Luis; Pires, Joao; Jorge, Miguel; Pinto, Moises L.; Ferreira, Paula; Gomes, Jose R. B. | article | |
| Oct-2020 | Mesoscale model of the synthesis of periodic mesoporous benzene-silica | Gouveia, José D.; Pérez-Sánchez, Germán; Santos, Sérgio M.; Carvalho, André P.; Gomes, José R. B.; Jorge, Miguel | article |  |
| 2013 | Modeling Self-Assembly of Silica/Surfactant Mesostructures in the Templated Synthesis of Nanoporous Solids | Perez-Sanchez, German; Gomes, Jose R. B.; Jorge, Miguel | article | |
| 2014 | Molecular Simulation of the Adsorption of Methane in Engelhard Titanosilicate Frameworks | Pillai, Renjith S.; Gomes, Jose R. B.; Jorge, Miguel | article | |
| 2-Mar-2017 | Molecular simulations of the synthesis of periodic mesoporous silica phases at high surfactant concentrations | Chien, Szu-Chia; Perez-Sanchez, Germán; Gomes, José R. B.; Cordeiro, M. Natália D. S.; Jorge, Miguel; Auerbach, Scott M.; Monson, Peter A. | article | |
| 27-Nov-2022 | Multiscale computational approaches toward the understanding of materials | Bordonhos, 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, Bruno | article | |
| 26-Apr-2016 | Multiscale model for the templated synthesis of mesoporous silica: the essential role of silica oligomers | Pérez-Sánchez, Germán; Chien, Szu-Chia; Gomes, José R. B.; Cordeiro, M. Natália D. S.; Auerbach, Scott M.; Monson, Peter A.; Jorge, Miguel | article | |
| 24-Nov-2021 | New force-field for organosilicon molecules in the liquid phase | Jorge, Miguel; Milne, Andrew W.; Barrera, Maria Cecilia; Gomes, José R. B. | article | |
| 1-Aug-2023 | Polarization-consistent force field for ketones | Barrera, Maria Cecilia; Cree, Jordan; Gomes, José R.B.; Jorge, Miguel | article | |
| 1-May-2019 | Rationalizing the phase behavior of triblock copolymers through experiments and molecular simulations | Pérez-Sánchez, Germán; Vicente, Filipa A.; Schaeffer, Nicolas; Cardoso, Inês S.; Ventura, Sónia P. M.; Jorge, Miguel; Coutinho, João A. P. | article | |
| 2013 | Role of the organic linker in the early stages of the templated synthesis of PMOs | Futamura, Ryusuke; Jorge, Miguel; Gomes, Jose R. B. | article | |
| 2013 | Salting-in with a Salting-out Agent: Explaining the Cation Specific Effects on the Aqueous Solubility of Amino Acids | Tome, Luciana I. N.; Pinho, Simao P.; Jorge, Miguel; Gomes, Jose R. B.; Coutinho, Joao A. P. | article | |
| 15-Jan-2021 | Self-consistent electrostatic embedding for liquid phase polarization | Jorge, Miguel; Gomes, José R.B.; Milne, Andrew W. | article | |