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L. Ferrão · SciRah

Researcher profile · Semantic Scholar

L. Ferrão

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L. Ferrão — researcher profile on SciRah

h-index: 11
Works: 56
Citations: 406

Most-cited papers

Theoretical and experimental study for the biomimetic recognition of levothyroxine hormone on magnetic molecularly imprinted polymer.
Silio Lima Moura, Laura Martinez Fajardo, Leonardo Dos Anjos Cunha, María del Pilar Taboada Sotomayor +3 more
2018Biosensors & bioelectronics45 citations Open access
Semantic Scholar
Singlet La and Lb Bands for N-Acenes (N = 2-7): A CASSCF/CASPT2 Study.
Fernanda Bettanin, L. Ferrão, Max Pinheiro, A. Aquino +3 more
2017Journal of Chemical Theory and Computation30 citations
Semantic Scholar
A product branching ratio controlled by vibrational adiabaticity and variational effects: kinetics of the H + trans-N2H2 reactions.
Jing-Jing Zheng, R. Rocha, M. Pelegrini, L. Ferrão +4 more
2012Journal of Chemical Physics30 citations
Semantic Scholar
O (3P) + CH3SH reactions: Structures, energetics, and kinetics
Daniely V. V. Cardoso, L. Ferrão, R. F. K. Spada, O. Roberto-Neto +1 more
201219 citations
Semantic Scholar
How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen.
Max Pinheiro, L. Ferrão, Fernanda Bettanin, A. Aquino +2 more
2017Physical Chemistry, Chemical Physics - PCCP18 citations Open access
Semantic Scholar
Preparation of Paraffin-Based Solid Combustible for Hybrid Propulsion Rocket Motor
K. Cardoso, L. Ferrão, E. Y. Kawachi, T. D. de Araújo +2 more
201718 citations
Semantic Scholar
Thermochemistry and kinetics of the trans-N2H2+N reaction
R. F. K. Spada, L. Ferrão, Daniely V. V. Cardoso, O. Roberto-Neto +1 more
201315 citations Open access
Semantic Scholar
Hydrogen abstraction from the hydrazine molecule by an oxygen atom.
R. F. K. Spada, L. Ferrão, R. Rocha, K. Iha +4 more
2015Journal of Physical Chemistry A14 citations
Semantic Scholar
Ballistic Performance of Paraffin-Based Solid Fuels Enhanced by Catalytic Polymer Degradation
K. Cardoso, L. Ferrão, E. Y. Kawachi, J. S. Gomes +1 more
2019Journal of Propulsion and Power13 citations
Semantic Scholar
Thermochemical and Kinetics of CH3SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies.
Daniely V. V. Cardoso, Leonardo A. Cunha, R. F. K. Spada, C. Petty +3 more
2017Journal of Physical Chemistry A13 citations
Semantic Scholar
Electronic Structure and Stability of Transition Metal Acetylacetonates TM(AcAc)n (TM=Cr, Fe, Co, Ni, Cu; n = 1, 2, 3)
Gabriel F. S. Fernandes, M. Pontes, F. B. C. Machado, L. Ferrão
2021Computational and Theoretical Chemistry12 citations
Semantic Scholar
Comparative study of small boron, silicon and germanium clusters: BmSin and BmGen (m + n = 2–4)
L. T. Ueno, Valéria O. Kiohara, L. Ferrão, M. Pelegrini +2 more
2015Journal of Molecular Modeling11 citations
Semantic Scholar
A quantitative tool to establish magic number clusters, ε3, applied in small silicon clusters, Si2-11
Gabriel F. S. Fernandes, F. Machado, L. Ferrão
2018Journal of Molecular Modeling9 citations
Semantic Scholar
Conductive organic polymers: An electrochemical route for the polymerization of dapsone
Silio Lima Moura, J. D. dos Santos, F. Machado, E. Y. Kawachi +1 more
20159 citations Open access
Semantic Scholar
Stability and Reactivity of the Phenalene and Olympicene Isomers.
L. Ferrão, M. Pontes, Gabriel F. S. Fernandes, Fernanda Bettanin +4 more
2023Journal of Physical Chemistry A8 citations
Semantic Scholar
A multi‐descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π‐Conjugation versus charge effects
J. C. V. Chagas, Bruno D. Milanez, Vytor P Oliveira, Max Pinheiro +4 more
2023Journal of Computational Chemistry8 citations
Semantic Scholar
Thermochemical and Kinetics of Hydrazine Dehydrogenation by an Oxygen Atom in Hydrazine-Rich Systems: A Dimer Model.
R. F. K. Spada, L. Ferrão, O. Roberto-Neto, H. Lischka +1 more
2015Journal of Physical Chemistry A8 citations Open access
Semantic Scholar
Electronic structure of CuXy (X = B, C, N, O, F; y = 0, +1, −1)
L. Ferrão, O. Roberto-Neto, F. Machado
20088 citations
Semantic Scholar
Multireference study of ionic/covalent electronic states of MF (M = Be, Mg and Ca).
Gabriel F. S. Fernandes, M. Pontes, Ulisses J. Faria, F. Machado +1 more
2020Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy7 citations
Semantic Scholar
Identification of Magic Numbers in Homonuclear Clusters : The ε3 Stability Ranking Function.
Gabriel F. S. Fernandes, F. Machado, L. Ferrão
2019Journal of Physical Chemistry A7 citations
Semantic Scholar
Hydrazine decomposition on a small platinum cluster: the role of N2H5 intermediate
M. Pelegrini, R. Parreira, L. Ferrão, G. Caramori +5 more
2016Theoretical Chemistry accounts7 citations
Semantic Scholar
AsCl radical: The low-lying electronic states and the (1)3Π → X 3Σ− electronic transition
M. Pontes, M. H. de Oliveira, L. Ferrão, O. Roberto-Neto +2 more
20157 citations
Semantic Scholar
Erratum to “Thermochemistry and kinetics of the trans-N2H2 + N reaction” [Chem. Phys. Lett. 557 (2013) 37–42]
R. F. K. Spada, L. Ferrão, Daniely V. V. Cardoso, O. Roberto-Neto +1 more
20137 citations Open access
Semantic Scholar
A theoretical study of the inversion and rotation barriers in Methyl-substituted Amines
Júnior Nascimento, M. Pelegrini, L. Ferrão, O. Roberto-Neto +1 more
20117 citations Open access
Semantic Scholar
Theoretical study of the GemSin (m + n = 3) clusters
L. T. Ueno, Valéria O. Kiohara, L. Ferrão, L. R. Marim +2 more
20117 citations
Semantic Scholar
Theoretical and experimental electronic spectra of neutral, monoprotonated and diprotonated dapsone
Silio Lima Moura, Gabriel F. S. Fernandes, F. Machado, L. Ferrão
2020Theoretical Chemistry accounts6 citations
Semantic Scholar
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping
Luan G. F. Dos Santos, J. C. V. Chagas, L. Ferrão, A. Aquino +3 more
2025Journal of Computational Chemistry5 citations Open access
Semantic Scholar
Microencapsulation of ADN with HTPB‐based membrane in the presence of the bonding agents Tepan or Tepanol**
Jessica O. Silva, K. Cardoso, Milton F. Diniz, M. Y. Nagamachi +1 more
2024Propellants, explosives, pyrotechnics5 citations
Semantic Scholar
An MRCI characterization of the low-lying electronic states of the GeB molecule
M. H. de Oliveira, M. Pontes, J. D. da Motta, L. Ferrão +2 more
20145 citations
Semantic Scholar
Transition probabilities and molecular constants of the low-lying electronic states of the MgS molecule
V. W. Ribas, L. Ferrão, O. Roberto-Neto, F. Machado
20105 citations
Semantic Scholar
Physicochemical characterization of a low-oxygen composite based on chitosan and electrochemically exfoliated graphene
Milena Nakagawa de Arruda, Bianca Fortes Palley, Gustavo Freitas de Souza, L. López +6 more
2023Materials Chemistry and Physics4 citations
Semantic Scholar
Electronic structure and physicochemical properties of the metal and semimetal oxide nanoclusters
Giovana V Fonseca, Gabriel F. S. Fernandes, F. Machado, L. Ferrão
2022Journal of Molecular Modeling4 citations
Semantic Scholar
Structural stability and the low‐lying singlet and triplet states of BN‐n‐acenes, n = 1–7
Bruno D. Milanez, G. M. Dos Santos, Max Pinheiro, L. T. Ueno +4 more
2022Journal of Computational Chemistry4 citations
Semantic Scholar
On the importance of non-covalent interactions for porous membranes: unraveling the role of pore size.
Leonardo A. Cunha, L. Ferrão, F. Machado, Max Pinheiro
2018Physical Chemistry, Chemical Physics - PCCP4 citations
Semantic Scholar
Thermochemical and kinetics studies of the CH3SH+S (3P) hydrogen abstraction and insertion reactions
Daniely V. V. Cardoso, Leonardo A. Cunha, R. F. K. Spada, L. Ferrão +2 more
2014Journal of Molecular Modeling4 citations
Semantic Scholar
Hydrogen Atom Abstraction Reaction from Silane with Hydrogen and Methyl Radicals: Rate Constants and Kinetic Isotopic Effects
F. G. Kano, E. M. V. de Carvalho, L. Ferrão, O. Roberto-Neto +1 more
2024Journal of Physical Chemistry A3 citations
Semantic Scholar
Thermal rate constants and kinetic isotope effects of the H + H2O2 reactions: barrier height and reaction energy from single- and multireference methods
F. G. Kano, E. M. V. de Carvalho, L. Ferrão, F. B. C. Machado +1 more
2024Journal of Molecular Modeling3 citations
Semantic Scholar
The low-lying quartet electronic states of group 14 diatomic borides XB (X = C, Si, Ge, Sn, Pb)
M. Pontes, M. H. de Oliveira, Gabriel F. S. Fernandes, J. D. da Motta +2 more
20183 citations
Semantic Scholar
The low-lying states of AlC and GaC: Molecular constants, transition probabilities and radiative lifetime
Gabriel F. S. Fernandes, M. Pontes, M. H. de Oliveira, L. Ferrão +1 more
20173 citations
Semantic Scholar
A multireference configuration interaction study of CuB and CuAl molecular constants and photoionization spectra.
L. Ferrão, R. F. K. Spada, O. Roberto-Neto, F. Machado
2013Journal of Chemical Physics3 citations
Semantic Scholar
Aromaticity Study of Linear and Belt-like Polycyclic Aromatic Hydrocarbons
G. Salles, P. R. C. Magalhaes, Jhonatas R. Carvalho, Matheus Máximo‐Canadas +7 more
2025Chemistry2 citations Open access
Semantic Scholar
Exploring the Mechanism of Ammonium Dinitramide Synthesis through DFT Calculations
L. M. Queiroz, Gabriel F. S. Fernandes, Josiane R. C. Silva, F. B. C. Machado +1 more
2025ACS Omega2 citations Open access
Semantic Scholar
Stability and Reactivity of Silicon Magic Numbers Doped with Aluminum and Phosphorus Atoms.
Gabriel F. S. Fernandes, Max Pinheiro, F. Machado, L. Ferrão
2018Journal of Physical Chemistry A2 citations
Semantic Scholar
A CASSCF/MRCI study of the low‐lying electronic states of the BeS molecule
A. D. de Oliveira-Filho, T. V. Alves, V. W. Ribas, L. Ferrão +3 more
20112 citations
Semantic Scholar
Tuning Heptazine-Based g‑C3N4 Structures for Photocatalysis by Enhancing Chemical Stability and Electron–Hole Pair Separation: A Computational Study
L. Faria, A. N. Raju, J. C. V. Chagas, A. Aquino +5 more
2026ACS Omega1 citations Open access
Semantic Scholar
Study and Characterization of Intermediates Used in the Production of the Oxidizer Ammonium Dinitramide
Josiane R. C. Silva, L. B. Oliveira, Jessica O. Silva, L. M. Queiroz +3 more
2025Propellants, explosives, pyrotechnics1 citations Open access
Semantic Scholar
Electronic Structure of Small Isolated and Supported Manganese Oxide Clusters.
Gabriel F. S. Fernandes, F. B. C. Machado, L. Ferrão
2023Journal of Physical Chemistry A1 citations
Semantic Scholar
The Chemical Bond Across the Periodic Table: Part 1 – First Row and Simple Metals
Gabriel F. S. Fernandes, Leonardo Dos Anjos Cunha, F. Machado, L. Ferrão
20201 citations Open access
Semantic Scholar
Revisiting chemical kinetics for H + CH4 → H2 + CH3 using variational transition state theory: comparison with global dynamics calculations
E. M. V. de Carvalho, M. Pontes, L. Ferrão, F. B. C. Machado +1 more
2026Journal of Molecular Modeling0 citations Open access
Semantic Scholar
Electronic properties of poly (triazine imide) distance-controlled of the NH and BH substitutions and their impacts on the photocatalytic descriptors
L. Faria, Bárbara M. Brum, L. M. Queiroz, Josiane R. C. Silva +3 more
2026Journal of Molecular Modeling0 citations Open access
Semantic Scholar

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