J. R. B. Gomes

"Recycling" Classical Drugs for Malaria
C. Teixeira, N. Vale, B. Pérez, A. Gomes, José R. B. Gomes, P. Gomes
Chem. Rev., 114 (2014) 11164. [link]
Invited Review Article - Issue on Neglected Tropical Diseases

Accurate Model for Predicting Adsorption of Olefins and Paraffins on MOFs with Open Metal Sites
M. Jorge, M. Fischer, José R. B. Gomes, C. Siquet, J. C. Santos, A. Rodrigues
Ind. Eng. Chem. Res., 53 (2014), 15475. [link]
Alírio Rodrigues Festschrift

Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends
J. L. C. Fajín, M. N. D. S. Cordeiro, José R. B. Gomes
J. Phys. Chem. A, 118 (2014) 5832. [link]
Invited Article

Molecular Simulation of the Adsorption of Methane in Engelhard Titanosilicate Frameworks
R. S. Pillai, José R. B. Gomes, M. Jorge
Langmuir, 30 (2014) 7435. [link]

Evidence for the Interactions Occurring Between Ionic Liquids and Tetraethylene Glycol in Binary Mixtures and Aqueous Biphasic Systems
L. Tomé, J. Pereira, R. Rogers, M. Freire, José R. B. Gomes, J. A. P. Coutinho
J. Phys. Chem. B, 118 (2014) 4615. [link]

Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational study
José R. B. Gomes, M. Jorge, P. Gomes
J. Chem. Thermodynamics, 73 (2014) 121. [link]
Ribeiro da Silva memorial issue

Structural, energetic and reactivity properties of phenoxazine and phenothiazine
V. L. S. Freitas, José R. B. Gomes, M. D. M. C. Ribeiro da Silva
J. Chem. Thermodynamics, 73 (2014) 110. [link]
Ribeiro da Silva memorial issue

Characterization of the Solution Behavior of Systems of Thiophene and Benzene and Ionic Liquids
M. L. S. Batista, L. I. Tomé, C. M. S. S. Neves, José R. B. Gomes, J. A. P. Coutinho
J. Mol. Liq., 192 (2014) 26. [link]

Prediction of Ionic Liquids Properties through Molecular Dynamics Simulations
M. L. S. Batista, J. A. P. Coutinho, José R. B. Gomes
Curr. Phys. Chem., 4 (2014) 151. [link]

Generalized Brønsted-Evans-Polanyi relationships and descriptors for O-H Bond cleavage of organic molecules on transition metal surfaces
J. L. C. Fajín, M. N. D. S. Cordeiro, F. Illas, José R. B. Gomes
J. Catal., 313 (2014) 24. [link]

Interaction of Atmospheric Gases with ETS-10: A DFT study
R. S. Pillai, M. Jorge, José R. B. Gomes
Micropor. Mesopor. Mater., 190 (2014) 38. [link]

Energetics and reactivity of morpholine and thiomorpholine: A joint experimental and computational study
V. L. S. Freitas, José R. B. Gomes, M. D. M. C. Ribeiro da Silva
J. Eng. Chem. Data, 59 (2014) 312-322. [link]

Computational approaches to study adsorption in MOFs with unsaturated metal sites
M. Fischer, José R. B. Gomes, M. Jorge
Mol. Simul., 40 (2014) 537. [link]
Invited Review Article - Issue on Recent Advances in the Molecular Simulation of Adsorption

“Washing-out” Polyethylene Glycol-Ionic Liquid Mixtures to form Aqueous Biphasic Systems
L. I. Tomé, J. F. B. Pereira, M. G. Freire, José R. B. Gomes, J. A. P. Coutinho
Phys. Chem. Chem. Phys., 16 (2014) 2271. [link]

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