2018

Unravelling the structure of chemisorbed CO2 species in mesoporous aminosilicas: a critical survey
R. Afonso, M. Sardo, L. Mafra, José R. B. Gomes
Environ. Sci. Technol., accepted for publication. [link]

Pyrolyzed chitosan-based materials for CO2/CH4 separation
M. A. O. Lourenço, C. Nunes, José R. B. Gomes, J. Pires, M. L. Pinto, P. Ferreira
Chem. Eng. J., 362 (2019) 364. [link]

Hydrogen bonding networks in gabapentin protic pharmaceutical salts: NMR and in silico studies
I. C. B. Martins, M. Sardo, T. Čendak, José R. B. Gomes, J. Rocha, M. T. Duarte, L. Mafra
Magn. Reson. Chem., accepted for publication. [open access]

A DFT study on the interaction of small molecules with alkali metal ion-exchanged ETS-10
R. S. Pillai, M. Jorge, José R. B. Gomes
Z. Krist. - Cryst. Mater., accepted for publication. [link]
Invited Article - Special Issue entitled Modelling Crystalline Microporous Materials
Eds. R. Bell & M. Fischer

Organossílicas mesoporosas periódicas para a purificação de biogás
M. A. O. Lourenço, P. Ferreira, José R. B. Gomes
Química - Bol. Soc. Port. Quim. 42 (2018) 224-230. [link]

A molecular dynamics framework to explore the structure and dynamics of layered double hydroxides
G. Pérez-Sánchez, T. L. P. Galvão, J. Tedim, José R. B. Gomes
Appl. Clay Sci., 163 (2018) 164. [link]

A New Model for Predicting Adsorption of Polar Molecules in MOFs with Unsaturated Metal Sites
C. Campbell, José R. B. Gomes, M. Fischer, M. Jorge
J. Phys. Chem. Lett., 9 (2018) 3544. [open access]

Flue gas adsorption on periodic mesoporous phenylene-silica: A DFT approach
M. A. O. Lourenço, P. C. Ferreira, José R. B. Gomes
Phys. Chem. Chem. Phys., 20 (2018) 16686. [link]

Mechanism of ionic liquid-based acidic aqueous biphasic systems formation
N. Schaeffer, H. Passos, M. Gras, V. Mogilireddy, J.P. Leal, G. Pérez-Sánchez, José R. B. Gomes, I. Billard, N. Papaiconomou, J. A. P. Coutinho
Phys. Chem. Chem. Phys., 20 (2018) 9838. [link]

Improving the Functionality and Performance of AA2024 Corrosion Sensing Coatings with Nanocontainers
T. L. P. Galvão, I. Sousa, M. Wilhelm, J. Carneiro, J. Opršal, H. Kukačková, V. Špaček, F. Maia, José R. B. Gomes, J. Tedim, M. G. S. Ferreira
Chem. Eng. J., 341 (2018) 526. [link]

Modelling the self-assembly of silica-based mesoporous materials
M. Jorge, A. W. Milne, O. N. Sobek, A. Centi, G. Pérez-Sánchez, José R. B. Gomes
Mol. Sim., 44 (2018) 435. [link]

Amine functionalized porous silica for CO2/CH4 separation by adsorption: Which amine and why?
L. Mafra, T. Čendak, S. Schneider, P. V. Wiper, J. Pires, José R. B. Gomes, M. L. Pinto
Chem. Eng. J., 336 (2018) 612. [link]

Water gas shift reaction promoted by bimetallic catalysts: an experimental and theoretical overview
J. L. C. Fajín, José R. B. Gomes
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, 2018, ISBN 9780124095472. [link]

Gas-organic and gas-inorganic interfacial effects in gas-adsorbent interactions: The case of CO2/CH4 separation
M. A. O. Lourenço, José R. B. Gomes, P. Ferreira
in, Hybrid organic-inorganic interfaces: Towards advanced functional materials, Eds. M. -H. Delville and A. Taubert, Wiley-VCH, January 2018. ISBN: 978-3-527-34255-6. [link]