J. R. B. Gomes

Evaluation of the GROMOS 56A_CARBO Force Field for the Calculation of Structural, Volumetric and Dynamic Properties of Aqueous Glucose Systems
M. Batista, G. Pérez Sánchez, José R. B. Gomes, J. A. P. Coutinho, E. M. Maginn
J. Phys. Chem. B, 119 (2015) 15310. [link]

Turning periodic mesoporous organosilicas selective to CO2/CH4 separation: deposition of aluminium oxide by atomic layer deposition
M. A. O. Lourenço, R. M. Silva, R. F. Silva, N. Pinna, S. Pronier, J. Pires da Silva, M. L. Pinto, José R. B. Gomes, P. Ferreira
J. Mater. Chem. A 3 (2015) 22860. [link]

Vapor-Liquid Equilibria of Imidazolium Ionic Liquids with Cyano Containing Anions with Water and Ethanol
I. Khan, M. L. S. Batista, P. J. Carvalho, L. M. N. B. F. Santos, José R. B. Gomes, J. A. P. Coutinho
J. Phys. Chem. B 119 (2015) 10287. [link]

Mechanistic Study of CO Methanation over Pure and Rh or Ru Doped Ni Catalysts
J. L. C. Fajín, José R. B. Gomes, M. N. D. S. Cordeiro
J. Phys. Chem. C 119 (2015) 16537. [link]

Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold
J. L. C. Fajín, F. Teixeira, José R. B. Gomes, M. N. D. S. Cordeiro
Theoret. Chem. Acc., 134 (2015) 67. [link]

Making periodic mesoporous organosilicas functional materials
P. Ferreira, C. Bispo, M. A. O. Lourenço, José R. B. Gomes, N. Bion, K. De Oliveira Vigier, F. Jérôme
in, Comprehensive guide for mesoporous materials, Vol. 4 - Application and Commercialization, Ed. M. Aliofkhazraei, Nova Science Publishers, Inc., New York, 2015, Chapter 12, pp. 261-295. ISBN: 978-1-63482-092-9. [link]

A Density Functional Theory Study on the Interaction of Paraffins, Olefins and Acetylenes with Na-ETS-10
R. S. Pillai, M. Jorge, José R. B. Gomes
Theoret. Chem. Acc., 134 (2015) 42. [link]

Understanding the Cation Specific Effects on the Aqueous Solubility of Amino Acids: from Mono to Polyvalent Cations
L. I. N. Tomé, C. S. R. Sousa, José R. B. Gomes, O. Ferreira, J. A. P. Coutinho, S. P. Pinho
RSC Adv., 5 (2015) 15024. [link]

Computational and Experimental Study of the Behavior of Cyano-based Ionic Liquids in Aqueous Solution
M. L. S. Batista, K. A. Kurnia, S. P. Pinho, José R. B. Gomes, J. A. P. Coutinho
J. Phys. Chem. B, 119 (2015) 1567. [link]

Fischer-Tropsch Synthesis on Multicomponent Catalysts: What Can We Learn From Computer Simulations?
J. L. C. Fajín, M. N. D. S. Cordeiro, José R. B. Gomes
Catalysts, 5 (2015) 3. [link]
Invited Review Article - Special Issue "Feature Papers to Celebrate the Landmarks of Catalysts"

Optimization of the time and temperature of the microwave-assisted amination of the phenylene-PMO
M. A. O. Lourenço, José R. B. Gomes, P. Ferreira
RSC Adv., 5 (2015) 9208. [link]

Understanding Gas Adsorption Selectivity in IRMOF-8 Using Molecular Simulation
R. S. Pillai, M. L. Pinto, J. Pires, M. Jorge, José R. B. Gomes
ACS Appl. Mater. Inter., 7 (2015) 624.[link]

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