José R. B. Gomes

Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples

João P. Prates Ramalho, José R. B. Gomes, Francesc Illas · RSC Advances · 2013 · 151 citations · Full text

Engineering, Theoretical Inorganic Chemistry, Dispersion Interactions +18

MXenes as promising catalysts for water dissociation

José D. Gouveia, Ángel Morales‐García, Francesc Viñes et al. · Applied Catalysis B: Environmental · 2019 · 150 citations · Full text

Chemical Engineering, Engineering, Water Dissociation +4

Novel insights into biomass delignification with acidic deep eutectic solvents: a mechanistic study of β-O-4 ether bond cleavage and the role of the halide counterion in the catalytic performance

André M. da Costa Lopes, José R. B. Gomes, João A. P. Coutinho et al. · Green Chemistry · 2020 · 144 citations · Full text

Chemical Engineering, Biomass Conversion, Bond Cleavage +11

Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends

José L. C. Fajín, M. Natália D. S. Cordeiro, José R. B. Gomes · The Journal of Physical Chemistry A · 2014 · 140 citations

Engineering, Computational Chemistry, Chemistry +17

Structure of Chemisorbed CO₂ Species in Amine-Functionalized Mesoporous Silicas Studied by Solid-State NMR and Computer Modeling

Luís Mafra, Tomaž Čendak, Sarah Schneider et al. · Journal of the American Chemical Society · 2016 · 138 citations