J. R. B. Gomes

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]
All the necessary parameters and inputs to carry out the MD simulations of Zn2Al and Mg2Al LDHs can be found here.

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]
2018 PCCP HOT Article

Nanostructured corrosion sensing coatings for aeronautical applications
T. L. P. Galvão, N. Scharnagl, I. Sousa, F. Maia, M. Wilhelm, José R. B. Gomes, J. Opršal, M. G. S. Ferreira, H. Kukačková, J. Tedim, V. Špaček
NACE - Int. Corr. Conf. Series (2018) NACE-2018-11091. [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]

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