Publicações

https://orcid.org/0000-0002-4184-2437
http://lattes.cnpq.br/7962146839706796

Viegas, L.P. ; Galvão, B. R. L. ;
With a little help from our (AI) friend: A general transition state sampling method for tropospheric hydrogen abstraction reactions.
Atmospheric Environment, V. 328, P. 120515, 2024.

Pilling, S. ; Mateus, M. S. ; Ojeda-González, A. ; Ferrão, L. F. A. ; Galvão B. R. L., Boduch, P. ; Rothard H. ;
Influence of temperature on the chemical evolution and desorption of pure CO ices irradiated by cosmic-rays analogues.
Monthly Notices of the Royal Astronomical Society, V. 528, P. 6075, 2024.

Castelo Branco, M. M. ; Verga, L. G. ; Da Silva , J L. F. ; Galvão, B. R. L. ;
Computational screening of silver-based single-atom alloys catalysts for CO2 reduction.
Journal of Chemical Physics, V. 160, P. 094706, 2024.

Galvão, B. R. L. ; Gomes, A. C. R. ; Mota, V. C. ; Guo, H. ;
Adiabatic reactions on excited electronic states of N₂O: First computations on the O(³P)+N₂(X)→N(²D)+NO(X) and O(³P)+N₂(A)→ N(⁴S)+NO(X) reactions.
Chemical Physics Letters, V. 844, P. 141261, 2024.

Freitas, W. D. ; Mazzoni, M. S. C. ; Matos, M. J. S. ; Galvão, B. R. L.
Predicting molecular crystals of polynitrogen (N6 ) structures with cage-like geometries using ab initio evolutionary algorithm.
Chemical Physics Letters, V. 844, P. 141262, 2024.

Dandan, L. ; Alves ; M. O. ; Galvão, B. R. L. ; Guo, H. ;
Theoretical study of the O(³P) + CN(X²Σ⁺) → CO(X¹Σ+) + N(²D)/N(⁴S) reactions.
Journal of Chemical Physics, V. 160, P. 064302, 2024.

Yang, Z ; Doddipatla, S. ; He, C. ; Goettl, S. J. ; Kaiser, R. I. ; Jasper, A. W. ; Gomes, A. C. R. ; Galvão, B. R. L. ;
Can third-body stabilisation of bimolecular collision complexes in cold molecular clouds happen?
Molecular Physics, v. 122, p. e2134832, 2024.

Dandan, L. ; Galvão, B. R. L. ; Varandas, A. J. C. ; Guo, H. ;
Quantum and Semiclassical Studies of Nonadiabatic Electronic Transitions between N(⁴S) and N(²D) by Collisions with N₂.
Physical Chemistry Chemical Physics, V. 25, P. 15656, 2023. (SELECTED AS 2023 PCCP HOT ARTICLES)

Pena, L. B. ; Da Silva , L. R. ; Da Silva , J L. F. ; Galvão, B. R. L. ;
Underlying mechanisms of gold nanoalloys stabilization .
Journal of Chemical Physics, V. 159, P. 244310, 2023.

Alves, M. O. ; Mota, V. C. ; Braga, J. P. ; Varandas, A .J. C. ; Guo, H. ; Galvão, B. R. L. ;
High-accuracy DMBE potential energy surface for CNO(⁴A”) and the rate coefficients for the C + NO reaction in the ²A’, ²A”, and ⁴A” states.
Journal of Chemical Physics, V. 159, P. 214307, 2023.

Galvão, B. R. L. ; Caridade P. J. S. B. ; Mota, V. C. ; Varandas, A .J. C. ;
SiS formation in the interstellar medium via SiH + S collisions.
Monthly Notices of the Royal Astronomical Society, V. 525, P. 5353, 2023.

Gomes, A. C. R. ; Souza, A. C. ; Jasper, A W..; Galvão, B. R. L. ;
The P(⁴S) + NH(3Σ–) and N(⁴S) + PH(3Σ–)reactions as sources of interstellar phosphorus nitride.
Publications of the Astronomical Society of Australia, V. 40, P. e011, 2023.

Pilling, S. ; Carvalho, G. A. ; De Abreu, H. A. ; Galvão, B. R. L. ; Da Silveira, C. H. ; Mateus, M. S.
Understanding the Molecular Kinetics and Chemical Equilibrium Phase of Frozen CO during Bombardment by Cosmic Rays by Employing the PROCODA Code.
The Astrophysical Journal , V. 952, P. 17, 2023.

Justino, D. A. ; Alves, M. O. ; Galvão, B. R. L. ; Santamaría R. ; De Souza, F. B. ; Ortega P. F. R. ;
The effects of functionalization on graphene oxide for organic dye adsorption: An experimental-theoretical study using electronic structure calculations and statistical mechanical modeling.
Journal of Molecular Liquid, V. 387, P. 122612, 2023.

Simosono, C. A. ; da Silva, R. M. R. ; De Campos, N. R. ; Silva, M. A. R. ; Doriguetto, A. C.; Flores, L. S. ; Correa, C. C. ; Simões, T. R. G. ; Valdo, A. K. S. M. ; Martins, F. T. ; Garcia, F. ; Guedes, G. P. ; Galvão, B. R. L. ; Cancino-Bernardi, J. ; dos Reis, R. D. ; Stumpf, H. O. ; Justino, D. D. ; Ortega, P. F. R. ; do Pim, W. D. ; Julve, M. ; Marinho, M. V. ;
Study of the Counter Cation Effects on the Supramolecular Structure and Electronic Properties of a Dianionic Oxamate-Based {Ni^II₂} Helicate.
Molecules, V. 28, P. 2086, 2023.

Neto, M. M. C. B. ; Verga, L. G. ; Da Silva, J. L. F. ; Galvão, B. R. L. ;
The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces.
Physical Chemistry Chemical Physics, V. 25, P. 4939, 2023.

Souza, T. G. F. ; Olusegun, S. J. ; Galvão, B. R. L. ; Da Silva, J. L. F. ; Mohallem, N. D. S. ; Ciminelli, V. S. T. ;
Mechanism of amoxicillin adsorption by ferrihydrites: Experimental and computational approaches.
Journal of Molecular Liquids, V. 373, P. 121202, 2023.

Paiva, M. A. M. ; Pilling, S. ; Mendoza, E. ; Galvão, B. R. L. ; De Abreu, H. A. ;
Glycolaldehyde formation mediated by interstellar amorphous ice: a computational study.
Monthly Notices of the Royal Astronomical Society, V. 519, P. 2518, 2023.

Galvão, B. R. L. ; Mondal T.;
EDITORIAL: Structure and dynamics of atmospheric, plasma, and astrochemical molecular processes.
Frontiers in Physics, V. 10, 2022.

Yang, Z ; He, C. ; Goettl, S. J. ; Paul, D. ; Kaiser, R. I. ; Silva, M. X. ; Galvão, B. R. L. ;
Gas-Phase Preparation of Silyl Cyanide (SiH₃CN) via a Radical Substitution Mechanism.
Journal of the American Chemical Society, v. 144, p. 8649, 2022.

Gomes, A. C. R. ; Spada, R. F. K. ; Lefloch, B.; Galvão, B. R. L. ;
Destruction of phosphorus nitride through the N(⁴S) + PN(¹Σ+) → N₂(¹Σ+) + P(⁴S) reaction.
Monthly Notices of the Royal Astronomical Society, V. 518, P. 5991, 2022.

Carvalho, G. A ; Pilling, S. ; Galvão, B. R. L. ;
Characterization of acetonitrile ice irradiated by X-rays employing the PROCODA code: I. Effective rate constants and abundances at chemical equilibrium.
Monthly Notices of the Royal Astronomical Society, V. 515, P. 3760–3772, 2022.

Campanha, D. R. ; Mendoza, E. ; Silva, M. X. ; Velloso, P. F G ; Carvajal, M. ; Wakelam, V. ; Galvão, B. R. L. ;
The Si + SO₂ Collision and an Extended Network of Neutral-Neutral Reactions Between Silicon and Sulphur Bearing Species.
Monthly Notices of the Royal Astronomical Society, V. 515, P. 369–377, 2022.

Mota, V. C. ; Caridade P. J. S. B. ; Varandas, A .J. C. ; Galvão, B. R. L. ;
Quasiclassical Trajectory Study of the Si+SH Reaction on an Accurate Double Many-Body Expansion Potential Energy Surface
Journal of Physical Chemistry A, v. 126, p. 3555, 2022.

Gomes, A. C. R. ; Rocha, C. M. R. ; Jasper, A. W. ; Galvão, B. R. L. ;
Formation of phosphorus monoxide through the P(⁴S)+O₂(³Σ ^–) → O(³P)+PO(²Π) reaction
Journal of Molecular Modeling, v. 28, p. 259, 2022.

Silva, L. R. ; Morais, F. O. ; Mendonça, J. P. A. ; B. R. L. Galvão ; Da Silva, J. L. ;
Theoretical investigation of the stability of A_55-nB_n nanoalloys (A, B = Al, Cu, Zn, Ag)
Computational Materials Science, v. 215, p. 111805, 2022.

Gonçalves, D. A. F. ; Pinheiro, M. V. B. ; Krambrock, K. ; Resende, R. R. ; Galvão, B. R. L. ; Lorençon, E.
Oxidative desulfurization of dibenzothiophene over highly dispersed Mo-doped graphitic carbon nitride.
Chemical Papers, v. 76, p. 3401, 2022.

Braga, J.P. ; Galvão, B.R.L. ; Nascimento, C.K.
Max Planck’s Determination of the Avogadro Constant.
Revista Brasileira de Ensino de Física , v. 44, p. e20220066, 2022.

Mota, V. C. ; Varandas, A. J. C. ; Mendoza, E. ; Wakelam, V. ; Galvão, B. R. L.
SiS Formation in the Interstellar Medium through Si+SH Gas-phase Reactions.
The Astrophysical Journal, v. 920, p. 37, 2021.

Ortega, P. F. R. ; Galvão, B. R. L. ; De Oliveira, P. S. C. ; Bastos, G. A. A. ; Bernardes, M. R. F. ; Lavall, R. L. ; Trigueiro, J. P. C.
Thermochromism in Polydiacetylene/Poly(vinyl alcohol) Hydrogels Obtained by the Freeze-Thaw Method: A Theoretical and Experimental Study.
Industrial & Engineering Chemistry Research, v. 60, p. 13243, 2021.

Souza, A. C. ; Silva, M. X.; Galvão, B. R. L.
Interconversion mechanisms of PN and PO in the interstellar medium through simple atom–diatom collisions
Monthly Notices of the Royal Astronomical Society, V. 507, P. 1899–1903, 2021.

Doddipatla, S. ; He, C. ; Goettl, S. J. ; Kaiser, R. I. ; Galvão, B. R. L. ; Millar, T. J.
Nonadiabatic Reaction Dynamics to Silicon Monosulfide (SiS): A Key Molecular Building Block to Sulfur-Rich Interstellar Grains.
Science Advances, V. 7, P. Eabg7003, 2021.

Goettl, S. J. ; D., Srinivas ; Yang, Z. ; He, C. ; Kaiser, R. I. ; Silva, M. X. ; Galvão, B. R. L. ; Millar, T. J.
Chemical Dynamics Study on the Gas-Phase Reaction of the D1-Silylidyne Radical (SiD; XΠ) With Deuterium Sulfide (DS) and Hydrogen Sulfide (HS).
Physical Chemistry Chemical Physics, V. 23, P. 13647, 2021.

Gomes, A. C. R. ; Silva, M. X. ; Galvão, B. R. L.
Stability of Neutral Molecular Polynitrogens: Energy Content and Decomposition Mechanisms.
RSC Advances, V. 11, P. 21567-21578, 2021.

Goettl, S. J. ; Yang, Z. ; Doddipatla, S. ; He, C. ; Alves, M. O. ; Galvão, B. R. L. ; Kaiser, R. I.
A Crossed Molecular Beams and Computational Study of the Formation of the Astronomically Elusive Thiosilaformyl Radical (HSiS, XA’).
Journal of Physical Chemistry Letters, V. 12, P. 5979-5986, 2021.

He, C.; Yang, Z.; Doddipatla, S.; Zhao, L.; Goettl, S.; Kaiser, R. I.; Silva, M. X.; Galvão, B. R. L.
Non-Adiabatic Reaction Dynamics in the Gas-Phase Formation of Phosphinidenesilylene, the Isovalent Counterpart of Hydrogen Isocyanide, Under Single-Collision Conditions.
Journal of Physical Chemistry Letters, v. 12, P. 2489-2495, 2021.

Alves, M. O. ; Gonçalves, C. E. M. ; Braga, J. P. ; Mota, V. C. ; Varandas, A. J. C. ; Galvão, B. R. L.
Accurate DMBE Potential-Energy Surface for CNO(²A”) and Rate Coefficients in C(³P)+NO Collisions.
Journal of Chemical Physics, v. 154, P. 034303, 2021.

Lourenço, M. P. ; Galvão, B. R. L. ; Barrios Herrera, L. ; Hostaš, J. ; Tchagang, A. ; Silva, M. X. ; Salahub, D. R.
A New Active Learning Approach for Global Optimization of Atomic Clusters.
Theoretical Chemistry Accounts, V. 140, P. 62, 2021.

Silva, M. X. ; Belchior, J. C. ; Galvão, B. R. L.
Mechanisms for N3 formation in radiated solid nitrogen: Computational predictions including excited electronic states.
International Journal of Quantum Chemistry, v. 121, p. e26562, 2021.

He, C. ; Goettl, S. J. ; Yang, Z. ; Doddipatla, S. ; Kaiser, R. I. ; Silva, M. X. ; Galvão, B. R. L.
Directed gas-phase preparation of the elusive phosphinosilylidyne (SiPH2, X2A”) and cis/trans phosphinidenesilyl (HSiPH; X2A’) radicals under single-collision conditions.
Physical Chemistry Chemical Physics, v. 23, p. 18506-18516, 2021.

Mota, V. C. ; Galvão, B. R. L. ; Coura, D. V. B. ; Varandas, A. J.C.
Accurate Potential Energy Surface for Quartet State HN₂ and Interplay of N(⁴S)+NH(X³Σ^–) Versus H+N₂(A³Σ⁺_u) Reactions.
Journal of Physical Chemistry A, v. 124, P. 781-789, 2020.

Cassemiro, B. G.; Santos, J. S.; Oliveira, W. X. C.; Pereira-Maia, E. C.; Galvão, B. R. L.; Pim, W. D.; Silva-Caldeira, P. P.
Dinuclear Copper(Ii) Complex with a Benzimidazole Derivative: Crystal Structure, Theoretical Calculations, And Cytotoxic Activity.
Applied Organometallic Chemistry, v. 34, P. E5425, 2020.

Paiva, M. A. M. ; Lefloch, B. ; Galvão, B. R. L.
SiS Formation Via Gas Phase Reactions Between Atomic Silicon and Sulphur-Bearing Species.
Monthly Notices of the Royal Astronomical Society, v. 493, P. 299-304, 2020.

Silva, F. T. ; Yoshinaga, M. ; Galvão, B. R. L.
A Method For Predicting Basins in the Global Optimization of Nanoclusters With Applications To Al_xCu_y Alloys.
Physical Chemistry Chemical Physics, v. 22, P. 16914-16925, 2020.

Gomes, A. C. R. ; Souza, T. M. De ; Da Silva, J. L. F. ; Galvão, B. R. L.
An Ab Initio Investigation of the Adsorption Properties of Water on Binary AlSi Clusters.
Physical Chemistry Chemical Physics, v. 22, P. 24669, 2020.

Galvão, B. R. L.; Viegas, L. P. ; Salahub, D. R. ; Lourenço, M. P.
Reliability of Semiempirical and DFTB Methods for the Global Optimization of the Structures of Nanoclusters.
Journal of Molecular Modeling, v. 26, P. 303, 2020.

Borges, Y.G. ; Galvão, B.R.L. ; Mota, V.C. ; Varandas, A.J.C. .
A Trajectory Surface Hopping Study of N₂(A) Quenching by H Atoms.
Chemical Physics Letters, v. 729, P. 61-64, 2019.

Alves, M. V. ; Gonçalves, C. E. M. ; Braga, J. P. ; Mota, V. C. ; Varandas, A. J. C. ; Galvão, B. R. L.
Quasiclassical Study of the C(³P)+NO(X) And O(³P) + CN(X) Collisional Processes on an Accurate DMBE Potential Energy Surface.
Journal of Physical Chemistry A, v. 123, P. 7195-7200, 2019.

Galvão, B. R. L.; Viegas, L. P.
What Electronic Structure Method Can Be Used in the Global Optimization of Nanoclusters?.
Journal of Physical Chemistry A, v. 123, P. 10454-10462, 2019.

Goncalves, C. E. M. ; Galvão, B. R. L. ; Mota, V. C. ; Braga, J. P. ; Varandas, A. J.C. .
Accurate Explicit-Correlation-MRCI-Based DMBE Potential-Energy Surface for Ground-State CNO.
Journal of Physical Chemistry A, v. 112, P. 4198-4207, 2018.

Silveira, A. D. P. ; Gomes, A. C. R. ; Galvão, B. R. L.
Structural and Homotop Optimization of Neutral Al-Si Nanoclusters.
Physical Chemistry Chemical Physics, v. 20, P. 17464, 2018.

Silva, M. X. ; Silva, F. T. ; Galvão, B. R. L. ; Braga, J. P. ; Belchior, J. C.
A Genetic Algorithm Survey on Closed-Shell Atomic Nitrogen Clusters Employing a Quantum Chemical Approach.
Journal of Molecular Modeling, v. 24, P. 196, 2018.

Moura, F. C. C. ; Rios, R. D. F. ; Galvão, B. R. L.
Emerging Contaminants Removal by Granular Activated Carbon Obtained From Residual Macauba Biomass.
Environmental Science And Pollution Research, v. 25, P. 26482-26492, 2018.

Paiva, M A M ; Lefloch, B ; Galvão, B. R. L.
Accurate Theoretical Predictions on the Mechanisms of OSiS Formation and its Dissociation Channels.
Monthly Notices of the Royal Astronomical Society, v. 481, P. 1858-1861, 2018.

Souza, F.S. ; Matos, M.J.S. ; Galvão, B.R.L. ; Arapiraca, A.F.C. ; Da Silva, S.N. ; Pinheiro, I.P.
Adsorption of CO₂ on Biphasic and Amorphous Calcium Phosphates: An Experimental and Theoretical Analysis.
Chemical Physics Letters, v. 714, P. 143-148, 2018.

Peluzo, B. M. T. C. ; Galvão, B. R. L.
Theoretical Study on the Structure and Reactions of Uranium Fluorides.
Journal of Molecular Modeling, v. 24, P. 197, 2018.

Gonçalves, C. E. M. ; Galvão, B. R. L. ; Braga, J. P.
Accurate Multi-Reference Study of Si₃ Electronic Manifold.
Theoretical Chemistry Accounts, v. 135, P. 116, 2016.

Galvão, B.R.L.; Mota, V.C. ; Varandas, A.J.C.
Modeling Cusps in Adiabatic Potential Energy Surfaces Using a Generalized Janh-Teller Coordinate.
Chemical Physics Letters, v. 660, P. 55-59, 2016.

Paiva, M. A. M. ; Peluzo, B. M. T. C. ; Belchior, J. C. ; Galvão, B. R. L.
Structure And Stability of Neutral Al-Mg Nanoclusters Up To 55 Atoms.
Physical Chemistry Chemical Physics, v. 18, P. 31579-31585, 2016.

Galvão, B. R. L. ; Poveda, L. A.
The Effect of Intersystem Crossings in N(²D) + H₂ Collisions.
The Journal of Chemical Physics, v. 142, P. 184302, 2015.

Silva, F.T. ; Galvão, B.R.L. ; Voga, G.P. ; Silva, M.X. ; Rodrigues, D.D.C. ; Belchior, J.C.
Exploring the MP2 Energy Surface of Nanoalloy Clusters With a Genetic Algorithm: Application to Sodium-Potassium.
Chemical Physics Letters, v. 639, P. 135-141, 2015.

Galvão, Breno R. L.; Mota, Vinícius C. ; Varandas, António J.C.
Modeling Cusps in Adiabatic Potential Energy Surfaces.
The Journal of Physical Chemistry A, v. 119, 1415-1421, 2015.

Silva, M. X. ; Galvão, B. R. L. ; Belchior, J. C.
Theoretical Study of Small Sodium-Potassium Alloy Clusters Through Genetic Algorithm and Quantum Chemical Calculations.
Physical Chemistry Chemical Physics, v. 16, P. 8895-8904, 2014.

Silva, M. X. ; Galvão, B. R. L. ; Belchior, J. C.
Growth Analysis of Sodium-Potassium Alloy Clusters From 7 to 55 Atoms Through a Genetic Algorithm Approach.
Journal of Molecular Modeling, v. 20, P. 2421, 2014.

Galvão, B. R. L.; Braga, J. P. ; Belchior, J. C. ; Varandas, A. J.C.
Electronic Quenching in N(²D)+N₂ Collisions: A State-Specific Analysis Via Surface Hopping Dynamics.
Journal of Chemical Theory and Computation, v. 10, P. 1872−1877, 2014.

Varandas, A. J.C. ; Galvão, B. R. L.
Exploring the Utility of Many-Body Expansions: A Consistent Set of Accurate Potentials For the Lowest Quartet And Doublet States of the Azide Radical with Revisited Dynamics.
The Journal of Physical Chemistry. A, v. 118, P. 10127–10133, 2014.F