Showing results 1 to 20 of 53
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| Issue Date | Title | Author(s) | Type | Access Type |
| 24-Jan-2022 | Being positive is not everything: experimental and computational studies on the selectivity of a self-assembled, multiple redox-state receptor that binds anions with up to picomolar affinities | Zubi, Ahmed; Alnafisah, Hawazin A.; Turega, Simon; Marques, Igor; Gomes, José R. B.; Thomas, Jim A.; Félix, Vítor | article |  |
| 24-Aug-2021 | Carbon capture and usage by MXenes | Morales-Salvador, Raul; Gouveia, José D.; Morales-García, Ángel; Viñes, Francesc; Gomes, José R. B.; Illas, Francesc | article | |
| 14-Jul-2021 | Catalytic reactions for H2 production on multimetallic surfaces: a review | Afonso, Rui V.; Gouveia, José D.; Gomes, José R. B. | article | |
| Mar-2016 | A computational UV-Vis spectroscopic study of the chemical speciation of 2-mercaptobenzothiazole corrosion inhibitor in aqueous solution | Galvão, Tiago L. P.; Kuznetsova, Alena; Gomes, José R. B.; Zheludkevich, Mikhail L.; Tedim, João; Ferreira, Mário G. S. | article |  |
| 2016 | A computational UV-Vis spectroscopic study of the chemical speciation of 2-mercaptobenzothiazole corrosion inhibitor in aqueous solution | Galvão, Tiago L. P.; Kuznetsova, Alena; Gomes, José R. B.; Zheludkevich, Mikhail L.; Tedim, João; Ferreira, Mário G. S. | article | |
| Aug-2021 | Concepts, models, and methods in computational heterogeneous catalysis illustrated through CO2 conversion | Morales‐García, Ángel; Viñes, Francesc; Gomes, José R. B.; Illas, Francesc | article | |
| 2016 | Control of crystallite and particle size in the synthesis of layered double hydroxides: macromolecular insights and a complementary modeling tool | Galvão, Tiago L. P.; Neves, Cristina S.; Caetano, Ana P. F.; Maia, Frederico; Mata, Diogo; Malheiro, Eliana; Ferreira, Maria J.; Bastos, Alexandre C.; Salak, Andrei N.; Gomes, José R. B.; Tedim, João; Ferreira, Mário G. S. | article | |
| 2016 | Control of crystallite and particle size in the synthesis of layered double hydroxides: Macromolecular insights and a complementary modeling tool | Galvão, Tiago L. P.; Neves, Cristina S.; Caetano, Ana P. F.; Maia, Frederico; Mata, Diogo; Malheiro, Eliana; Ferreira, Maria J.; Bastos, Alexandre C.; Salak, Andrei N.; Gomes, José R. B.; Tedim, João; Ferreira, Mário G. S. | article | |
| Dec-2022 | CORDATA: an open data management web application to select corrosion inhibitors | Galvão, Tiago L. P.; Ferreira, Inês; Kuznetsova, Alena; Novell-Leruth, Gerard; Song, Ci; Feiler, Christian; Lamaka, Sviatlana V.; Rocha, Claúdia; Maia, Frederico; Zheludkevich, Mikhail L.; Gomes, José R. B.; Tedim, João | article | |
| 2017 | Corrosion inhibition of copper in aqueous chloride solution by 1H-1,2,3-triazole and 1,2,4-triazole and their combinations: electrochemical, Raman and theoretical studies | Ofoegbu, Stanley Udochukwu; Galvão, Tiago L. P.; Gomes, José R. B.; Tedim, João; Nogueira, Helena I. S.; Ferreira, M. G. S.; Zheludkevich, M. L. | article | |
| 6-Nov-2008 | DFT study of the CO oxidation on the Au(321) surface | Fajín, José L. C.; Cordeiro, M. Natália D. S.; Gomes, José R. B. | article | |
| 1-Dec-2022 | Diffusivities of linear unsaturated ketones and aldehydes in compressed liquid ethanol | Zêzere, Bruno; Buchgeister, Simon; Faria, Sofia Neto; Portugal, Inês; Gomes, José R. B.; Silva, Carlos M. | article | |
| 27-Apr-2022 | Electrolyte Effects on the Amino Acid Solubility in Water: Solubilities of Glycine, l-Leucine, l-Phenylalanine, and l-Aspartic Acid in Salt Solutions of (Na+, K+, NH4+)/(Cl–, NO3–) | Aliyeva, Mehriban; Brandão, Paula; Gomes, José R. B.; Coutinho, João A. P.; Ferreira, Olga; Pinho, Simão P. | article | |
| Mar-2020 | Elucidating structure–property relationships in aluminum alloy corrosion inhibitors by machine learning | Galvão, Tiago L. P.; Novell-Leruth, Gerard; Kuznetsova, Alena; Tedim, João; Gomes, José R. B. | article | |
| Nov-2019 | Emerging trends in smart nanocontainers for corrosion applications | Galvão, Tiago L. P.; Wilhelm, Manon; Gomes, José R. B.; Tedim, João | bookPart | |
| 2015 | Evaluation of the GROMOS 56A(CARBO) Force Field for the Calculation of Structural, Volumetric, and Dynamic Properties of Aqueous Glucose Systems | Batista, Marta L. S.; Pérez-Sánchez, Germán; Gomes, José R. B.; Coutinho, João A. P.; Maginn, Edward J. | article | |
| Apr-2021 | Exploring periodic mesoporous organosilicas for ethane–ethylene adsorption–separation | Bordonhos, Marta; Lourenço, Mirtha; Gomes, José R. B.; Ferreira, Paula; Pinto, Moisés L. | article |  |
| 1-May-2020 | Facile heterogeneously catalyzed nitrogen fixation by MXenes | Gouveia, José D.; Morales-García, Ángel; Viñes, Francesc; Gomes, José R. B.; Illas, Francesc | article | |
| 21-Sep-2020 | First-principles calculations on the adsorption behavior of amino acids on a titanium carbide MXene | Gouveia, José D.; Novell-Leruth, Gerard; Reis, Pedro M. L. S.; Viñes, Francesc; Illas, Francesc; Gomes, José R. B. | article | |
| 2017 | How density functional theory surface energies may explain the morphology of particles, nanosheets, and conversion films based on layered double hydroxides | Galvão, Tiago L. P.; Neves, Cristina S.; Zheludkevich, Mikhail L.; Gomes, José R. B.; Tedim, João; Ferreira, Mário G. S. | article | |