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Showing results 2 to 13 of 13 < previous 
Issue DateTitleAuthor(s)TypeAccess Type
Oct-2018A molecular dynamics framework to explore the structure and dynamics of layered double hydroxidesPérez-Sánchez, Germán; Galvão, Tiago L. P.; Tedim, João; Gomes, José R. B.articleopenAccess
27-Jan-2021Multifunctionality in an Ion-Exchanged Porous Metal-Organic FrameworkVilela, Sérgio M. F.; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R. B.; Tomé, João P. C.; Almeida Paz, Filipe 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
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
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
15-Jul-2020The cation effect on the solubility of glycylglycine and N-acetylglycine in aqueous solution: experimental and molecular dynamics studiesPérez-Sánchez, Germán; Santos, Yoselyn S.; Ferreira, Olga; Coutinho, João A. P.; Gomes, José R. B.; Pinho, Simão P.articleembargoedAccess
13-Aug-2020Unravelling the interactions between surface-active ionic liquids and triblock copolymers for the design of thermal responsive systemsPérez-Sánchez, Germán; Vicente, Filipa A.; Schaeffer, Nicolas; Cardoso, Inês S.; Ventura, Sónia P. M.; Jorge, Miguel; Coutinho, João A. P.articlerestrictedAccess
2020Unveiling the local structure of 2-mercaptobenzothiazole intercalated in (Zn2Al) layered double hydroxidesNovell-Leruth, Gerard; Pérez-Sánchez, Germán; Galvão, Tiago L. P.; Boiba, Dziyana; Poznyak, Syargei; Carneiro, Jorge; Tedim, João; Gomes, José R. B.articleopenAccess
28-May-2021Unveiling the phase behavior of CiEj non-ionic surfactants in water through coarse-grained molecular dynamics simulationsCrespo, Emanuel A.; Vega, Lourdes F.; Pérez-Sánchez, Germán; Coutinho, João A. P.articleembargoedAccess
14-Nov-2020Using coarse-grained molecular dynamics to rationalize biomolecule solubilization mechanisms in ionic liquid-based colloidal systemsBastos, Henrique; Bento, Ricardo; Schaeffer, Nicolas; Coutinho, João A. P.; Pérez-Sánchez, GermánarticleopenAccess
14-Mar-2021Using coarse-grained molecular dynamics to understand the effect of ionic liquids on the aggregation of Pluronic copolymer solutionsPérez-Sánchez, Germán; Schaeffer, Nicolas; Lopes, André M.; Pereira, Jorge F. B.; Coutinho, João A. P.articleembargoedAccess
Showing results 2 to 13 of 13 < previous