| Emerging contaminants removal by granular activated carbon obtained from residual Macauba biomass FCC Moura, RDF Rios, BRL Galvão Environmental Science and Pollution Research 25, 26482-26492, 2018 | 71 | 2018 |
| Accurate Double Many-Body Expansion Potential Energy Surface for N3(4A′′) from Correlation Scaled ab Initio Energies with Extrapolation to the Complete … BRL Galvão, AJC Varandas The Journal of Physical Chemistry A 113 (52), 14424-14430, 2009 | 59 | 2009 |
| Electronic Quenching of N(2D) by N2: Theoretical Predictions, Comparison with Experimental Rate Constants, and Impact on Atmospheric Modeling BRL Galvão, AJC Varandas, JP Braga, JC Belchior The Journal of Physical Chemistry Letters 4 (14), 2292-2297, 2013 | 33 | 2013 |
| Quasiclassical trajectory study of atom-exchange and vibrational relaxation processes in collisions of atomic and molecular nitrogen P Caridade, BRL Galvão, AJC Varandas The Journal of Physical Chemistry A 114 (19), 6063-6070, 2010 | 33 | 2010 |
| Ab Initio Based Double-Sheeted DMBE Potential Energy Surface for N3(2A″) and Exploratory Dynamics Calculations BRL Galvão, AJC Varandas The Journal of Physical Chemistry A 115 (44), 12390-12398, 2011 | 28 | 2011 |
| N (4S/2D)+ N2: accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamics BRL Galvão, P Caridade, AJC Varandas The Journal of Chemical Physics 137 (22), 2012 | 27 | 2012 |
| A new active learning approach for global optimization of atomic clusters MP Lourenco, BRL Galvao, L Barrios Herrera, J Hostaš, A Tchagang, ... Theoretical Chemistry Accounts 140 (6), 62, 2021 | 23 | 2021 |
| Reliability of semiempirical and DFTB methods for the global optimization of the structures of nanoclusters BRL Galvao, LP Viegas, DR Salahub, MP Lourenço Journal of Molecular Modeling 26, 1-8, 2020 | 22 | 2020 |
| What electronic structure method can be used in the global optimization of nanoclusters? BRL Galvão, LP Viegas The Journal of Physical Chemistry A 123 (48), 10454-10462, 2019 | 19 | 2019 |
| Adsorption of CO2 on biphasic and amorphous calcium phosphates: An experimental and theoretical analysis FS Souza, MJS Matos, BRL Galvão, AFC Arapiraca, SN da Silva, ... Chemical Physics Letters 714, 143-148, 2019 | 19 | 2019 |
| Exploring the MP2 energy surface of nanoalloy clusters with a genetic algorithm: application to sodium–potassium FT Silva, BRL Galvão, GP Voga, MX Silva, DDC Rodrigues, JC Belchior Chemical Physics Letters 639, 135-141, 2015 | 19 | 2015 |
| Electronic Quenching in N(2D) + N2 Collisions: A State-Specific Analysis via Surface Hopping Dynamics BRL Galvão, JP Braga, JC Belchior, AJC Varandas Journal of Chemical Theory and Computation 10 (5), 1872-1877, 2014 | 19 | 2014 |
| Oxidative desulfurization of dibenzothiophene over highly dispersed Mo-doped graphitic carbon nitride DAF Gonçalves, MVB Pinheiro, K Krambrock, RR Resende, BRL Galvão, ... Chemical Papers 76 (6), 3401-3412, 2022 | 18 | 2022 |
| Modeling cusps in adiabatic potential energy surfaces BRL Galvão, VC Mota, AJC Varandas The Journal of Physical Chemistry A 119 (8), 1415-1421, 2015 | 17 | 2015 |
| Energy-switching potential energy surface for the water molecule revisited: A highly accurate singled-sheeted form BRL Galvao, SPJ Rodrigues, AJC Varandas The Journal of chemical physics 129 (4), 2008 | 17 | 2008 |
| Accurate explicit-correlation-MRCI-based DMBE potential-energy surface for ground-state CNO CEM Gonçalves, BRL Galvão, VC Mota, JP Braga, AJC Varandas The Journal of Physical Chemistry A 122 (16), 4198-4207, 2018 | 15 | 2018 |
| Theoretical study of small sodium–potassium alloy clusters through genetic algorithm and quantum chemical calculations MX Silva, BRL Galvão, JC Belchior Physical Chemistry Chemical Physics 16 (19), 8895-8904, 2014 | 15 | 2014 |
| SiS formation in the interstellar medium through Si+ SH gas-phase reactions VC Mota, AJC Varandas, E Mendoza, V Wakelam, BRL Galvão The Astrophysical Journal 920 (1), 37, 2021 | 14 | 2021 |
| Modeling cusps in adiabatic potential energy surfaces using a generalized Jahn-Teller coordinate BRL Galvão, VC Mota, AJC Varandas Chemical Physics Letters 660, 55-59, 2016 | 14 | 2016 |
| Structure and stability of neutral Al–Mg nanoclusters up to 55 atoms MAM Paiva, BMTC Peluzo, JC Belchior, BRL Galvão Physical Chemistry Chemical Physics 18 (46), 31579-31585, 2016 | 14 | 2016 |