2017

Periodic mesoporous organosilica with low thiol density - a safer material to trap Hg(II) from water
P. Figueira, M. A. O. Lourenço, E. Pereira, José R. B. Gomes, P. Ferreira, C. B. Lopes
J. Environ. Chem. Eng., 5 (2017) 5043. [link]

Energetic and reactivity properties of 9,10-dihydroacridine and diphenylamine: a comparative overview
V. L. S. Freitas, José R. B. Gomes, J. F. Liebman, M. D. M. C. Ribeiro da Silva
J. Chem. Thermodynamics, 115 (2017) 276. [link]

Prediction of Metallic Nanotubes Reactivity for H2O Activation
J. L. C. Fajín, M. N. D. S. Cordeiro, José R. B. Gomes
Phys. Chem. Chem. Phys., 19 (2017) 19188. [link]

Water Dissociation on Multimetallic Catalysts
J. L. C. Fajín, M. N. D. S. Cordeiro, José R. B. Gomes
Appl. Catal. B., 218 (2017) 199. [link]

Carbonization of periodic mesoporous phenylene- and biphenylene-silicas for CO2/CH4 separation
M. A. O. Lourenço, M. L. Pinto, J. Pires, José R. B. Gomes, P. Ferreira
Carbon, 119 (2017) 267. [link]

Microwave-assisted N,N-dialkylation of amine-functionalized periodic mesoporous phenylene-silica: An easy and fast way to design materials
M. A. O. Lourenço, M. J. G. Ferreira, M. Sardo, L. Mafra, José R. B. Gomes, P. Ferreira
Micropor. Mesopor. Mat., 249 (2017) 10. [link]

Simple, mono and bifunctional periodic mesoporous organosilicas for removal of priority hazardous substances from water: the case of mercury(II)
M. A. O. Lourenço, P. Figueira, E. Pereira, José R. B. Gomes, C. B. Lopes, P. Ferreira
Chem. Eng. J., 322 (2017) 263. [link]

Molecular Simulations of the Synthesis of Periodic Mesoporous Silica Phases at High Surfactant Concentrations
S. -C. Chien, G. Pérez-Sánchez, José R. B. Gomes, M. N. D. S. Cordeiro, M. Jorge, S. Auerbach, P. Monson
J. Phys. Chem. C, 121 (2017) 4564. [open access]

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
S. U. Ofoegbu, T. L. P. Galvão, José R. B. Gomes, J. Tedim, H. Nogueira, M. Ferreira, M. Zheludkevich
Phys. Chem. Chem. Phys., 19 (2017) 6113. [link]

Selectivity for CO2 over CH4 on a Functionalized Periodic Mesoporous Phenylene-Silica Explained by Transition State Theory
C. Kunkel, F. Viñes, M. A. O. Lourenço, P. Ferreira, José R. B. Gomes, F. Illas
Chem. Phys. Lett., 671 (2017) 161. [link]

Understanding polymorphic control using imidazolium-based ionic liquid mixtures as crystallization directing agents
Inês C. B. Martins, José R. B. Gomes, M. T. Duarte, L. Mafra
Cryst. Growth Des., 17 (2017) 428. [link]

How DFT Surface Energies May Explain the Morphology of Particles, Nanosheets and Conversion Films based on Layered Double Hydroxides
T. L. P. Galvão, C. Neves, M. L. Zheludkevich, José R. B. Gomes, J. Tedim, M. G. S. Ferreira
J. Phys. Chem. C, 121 (2017) 2211. [link]

Adsorption of CO on the Rutile TiO2(110) Surface: A Dispersion-Corrected Density Functional Theory Study
J. P. Prates Ramalho, F. Illas, José R. B. Gomes
Phys. Chem. Chem. Phys., 19 (2017) 2487. [link]

The structure of chemisorbed CO2 species in amine-functionalized mesoporous silicas studied by solid-state NMR and computer modeling
L. Mafra, T. Čendak, S. Schneider, P. V. Wiper, J. Pires, José R. B. Gomes, M. L. Pinto
J. Am. Chem. Soc. 139 (2017) 389. [link]

A Transferable Model for Adsorption in MOFs with Unsaturated Metal Sites
C. Campbell, C. Ferreiro-Rangel, M. Fischer, José R. B. Gomes, M. Jorge
J. Phys. Chem. C 121 (2017) 441. [open access]

Thermochemical studies on two alkyl-bulky substituted xanthene derivatives: 9,9-dimethylxanthene and 2,7-di-tert-butyl-9,9-dimethylxanthene
V. L. S. Freitas, José R. B. Gomes, M. D. M. C. Ribeiro da Silva
J. Chem. Thermodynamics, 106 (2017) 168. [link]