Artigos

85 trabalhos, 2003–2026. Membros do grupo em negrito.

2026 1 papers

Unveiling Electric Field-Driven Stereocontrol in Hurd–Claisen Rearrangements Ler o artigo →

Mateus Rodrigues Barbosa; Pedro Henrique Ferreira Matias; Daniel F. Scalabrini Machado; Angelo H. Lira Machado; Heibbe C. B. de Oliveira

Journal of Chemical Theory and Computation (2026)

2025 6 papers

Anisotropic Ferricyanide Ionic Liquids and Confined SCILLs for Selective CO 2 Fixation via NHC–CO 2 Mediated Catch-and-Release Catalysis Ler o artigo →

Camila P. Ebersol; Javier Torres; Rafael Pavão das Chagas; Luciano M. Lião; Muhammad Nisar; Pedro Henrique Ferreira Matias; Heibbe C. B. de Oliveira; José S. S. Neto; Guilherme Colherinhas; Muhammad I. Qadir

The Journal of Physical Chemistry C, v. 129, p. 20258-20267 (2025)

Car‐Parrinello Molecular Dynamics Elucidate Atomic Nitrogen Reactivity Under Nanoflask (C70) Confinement Conditions Ler o artigo →

Núbia Maria Nunes Rodrigues; Rodrigo A. Lemos Silva; Daniel F. S. Machado; Heibbe C. B. de Oliveira; Luciano Ribeiro

ChemPhysChem, v. 26, p. e202400755-e202400755 (2025)

Hidden Carbenes: NHC-Al Species at the Al2O3–Ionic Liquid Interface Ler o artigo →

Muhammad I. Qadir; Camila P. Ebersol; Blendo A. da Silva; Marcus V. Castegnaro; Luciano M. Lião; Flávio O. Sanches-Neto; Heibbe C. B. de Oliveira; Renato B. Pontes; Günter Ebeling; Jaı̈rton Dupont

JACS Au, v. 5, p. 4370-4377 (2025)

Integrating Machine Learning and SHAP Analysis to Advance the Rational Design of Benzothiadiazole Derivatives with Tailored Photophysical Properties Ler o artigo →

Rafael F. Veríssimo; Pedro Henrique Ferreira Matias; Mateus Rodrigues Barbosa; Flávio O. Sanches-Neto; Brenno A. D. Neto; Heibbe C. B. de Oliveira

Journal of Chemical Information and Modeling, v. 65, p. 7874-7886 (2025)

Surface palladium nanoparticles in ionic liquids modified with phosphorus ligands for enhanced catalytic semi-hydrogenation Ler o artigo →

Muhammad I. Qadir; Gustavo Chacón; Camila P. Ebersol; Gabriel Abarca; Pedro Henrique Ferreira Matias; Heibbe C. B. de Oliveira; Renato B. Pontes; Rafael Stieler; Jaı̈rton Dupont

Nanoscale, v. 17, p. 16705-16712 (2025)

ThermoPred: AI-Enhanced Quantum Chemistry Data Set and ML Toolkit for Thermochemical Properties of API-Like Compounds and Their Degradants Ler o artigo →

Daniella Pereira dos Santos; Jefferson R. Dias-Silva; Luiz Henrique Keng Queiroz Júnior; Heibbe C. B. de Oliveira

Journal of Chemical Information and Modeling, v. 65, p. 13004-13011 (2025)

2024 3 papers

(E)-2-Benzylidenecyclanones: Part XX—Reaction of Cyclic Chalcone Analogs with Cellular Thiols: Unexpected Increased Reactivity of 4-Chromanone- Compared to 1-Tetralone Analogs in Thia-Michael Reactions Ler o artigo →

Gábor Bognár; Fatemeh Kenari; Zoltán Pintér; Igor D. Borges; Ademir J. Camargo; Heibbe C. B. de Oliveira; Flávio O. Sanches-Neto; Valter H. Carvalho‐Silva; Hamilton B. Napolitano; Pál Perjési

Molecules, v. 29, p. 5493-5493 (2024)

Deciphering Stereoselectivity in Hurd‐Claisen Rearrangements: A Comprehensive Study of Electrostatic Interactions from Shubin's Energy Decomposition Analysis Ler o artigo →

Ana Gabriela Coelho Oliveira; Mateus Rodrigues Barbosa; Pedro Henrique Ferreira Matias; Charlley Anchieta Lourenço Silva; Daniel F. S. Machado; Angelo H. L. Machado; Heibbe C. B. de Oliveira

ChemPhysChem, v. 25, p. e202400565-e202400565 (2024)

Exploring the aqueous solubility and intermolecular interactions of diclofenac Diethylammonium: A molecular modeling study in solid state and solvation processes Ler o artigo →

Allane C. C. Rodrigues; Lóide O. Sallum; Antônio S. N. Aguiar; Ademir J. Camargo; Heibbe C. B. de Oliveira; Hamilton B. Napolitano

Journal of Molecular Liquids, v. 401, p. 124613-124613 (2024)

2023 2 papers

(Ro)vibrational Spectroscopic Constants, Lifetime and QTAIM Evaluation of Fullerene Dimers Stability Ler o artigo →

Rodrigo A. Lemos Silva; Mateus Rodrigues Barbosa; Caio R. Martins; Daniel F. S. Machado; Luciano Ribeiro; Heibbe C. B. de Oliveira; Demétrio A. da Silva Filho

Molecules, v. 28, p. 5023-5023 (2023)

The effect of chemically functionalized C60-nanocages as sorbents and sensors for methamphetamine drug: A DFT and QTAIM study Ler o artigo →

Hamid Hadi; Chin-Hung Lai; Daniel C. Agurokpon; Heibbe C. B. de Oliveira; Hitler Louis

Diamond and Related Materials, v. 141, p. 110722-110722 (2023)

2022 4 papers

Harnessing Greenhouse Gases Absorption by Doped Fullerenes with Externally Oriented Electric Field Ler o artigo →

Rodrigo A. Lemos Silva; Daniel F. S. Machado; Núbia Maria Nunes Rodrigues; Heibbe C. B. de Oliveira; Luciano Ribeiro; Demétrio A. da Silva Filho

Molecules, v. 27, p. 2968-2968 (2022)

Remarkable Nonlinear Properties of a Novel Quinolidone Derivative: Joint Synthesis and Molecular Modeling Ler o artigo →

Clodoaldo Valverde; Rafael S. Vinhal; Luiz F. N. Naves; Jean M. F. Custódio; B. Baseia; Heibbe C. B. de Oliveira; Caridad N. Pérez; Hamilton B. Napolitano; Francisco A. P. Osório

Molecules, v. 27, p. 2379-2379 (2022)

Theoretical Model of Polarization Effects on Third-Order NLO Properties of the Stilbazolium Derivative Crystal Ler o artigo →

Mateus Rodrigues Barbosa; Igor S. D. Costa; Thiago O. Lopes; Clodoaldo Valverde; Daniel F. S. Machado; Heibbe C. B. de Oliveira

The Journal of Physical Chemistry A, v. 126, p. 8901-8909 (2022)

Theoretical study of the interaction of fullerenes with the emerging contaminant carbamazepine for detection in aqueous environments Ler o artigo →

Rodrigo A. Lemos Silva; Daniel F. S. Machado; Heibbe C. B. de Oliveira; Luciano Ribeiro; Demétrio A. da Silva Filho

Scientific Reports, v. 12, p. 15848-15848 (2022)

2020 6 papers

A benzothiadiazole-quinoline hybrid sensor for specific bioimaging and surgery procedures in mice Ler o artigo →

Gisele A. Medeiros; José R. Corrêa; Lorena P. de Andrade; Thiago O. Lopes; Heibbe C. B. de Oliveira; Ariane Barros Diniz; Gustavo Batista Menezes; Marcelo O. Rodrigues; Brenno A. D. Neto

Sensors and Actuators B Chemical, v. 328, p. 128998-128998 (2020)

Estudo da Energia Livre de Formação das Ligações de Hidrogênio da Dopamina em Solução Aquosa Usando CPMD Ler o artigo →

Allane C. C. Rodrigues; Priscila Rodrigues Gomes; Ademir J. Camargo; Heibbe C. B. de Oliveira

Anais do VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular (SEEDMOL) (2020)

Estudo dos efeitos da solvatação aquosa na norepinefrina usando Dinâmica Molecular de Car-Parrinello Ler o artigo →

Bruna Nery Martins; Allane C. C. Rodrigues; Arsênio P. V. Neto; Ademir J. Camargo; Heibbe C. B. de Oliveira

Anais do VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular (SEEDMOL) (2020)

Fluorescent Benzoselenadiazoles: Synthesis, Characterization, and Quantification of Intracellular Lipid Droplets and Multicellular Model Staining Ler o artigo →

Ingryd R. Medeiros; José R. Corrêa; Ana Luisa Augusto Barbosa; Roberta Krüger; Renata A. Balaguez; Thiago O. Lopes; Heibbe C. B. de Oliveira; Diego Alves; Brenno A. D. Neto

The Journal of Organic Chemistry, v. 85, p. 10561-10573 (2020)

Indium complex with task-specific ionic liquid ligands: Ligand to ligand charge transfer in the excited state investigation and reliable DFT predictions Ler o artigo →

Júlia R. Diniz; José R. Corrêa; Daniel F. S. Machado; Samira L. M. Soares; Claudia C. Gatto; Heibbe C. B. de Oliveira; Paulo Eduardo Narcizo de Souza; Marcelo O. Rodrigues; Brenno A. D. Neto

Journal of Luminescence, v. 225, p. 117391-117391 (2020)

Non-covalent interactions and their impact on the complexation thermodynamics of noble gases with methanol Ler o artigo →

Lúcio Renan Vieira; Sandro Francisco de Brito; Mateus Rodrigues Barbosa; Thiago O. Lopes; Daniel F. S. Machado; Heibbe C. B. de Oliveira

Physical Chemistry Chemical Physics, v. 22, p. 17171-17180 (2020)

2019 1 papers

Unprecedented E -stereoselectivity on the sigmatropic Hurd–Claisen rearrangement of Morita–Baylis–Hillman adducts: a joint experimental–theoretical study Ler o artigo →

Vinicius Sobral Silva; Terezinha Alves Tolentino; Tiago Costa Alves Fontoura Rodrigues; Fernanda Ferrari Martins Santos; Daniel F. S. Machado; Wender A. Silva; Heibbe C. B. de Oliveira; Angelo H. L. Machado

Organic & Biomolecular Chemistry, v. 17, p. 4498-4511 (2019)

2018 6 papers

Bond Ellipticity Alternation: An Accurate Descriptor of the Nonlinear Optical Properties of π-Conjugated Chromophores Ler o artigo →

Thiago O. Lopes; Daniel F. S. Machado; Chad Risko; Jean‐Luc Brédas; Heibbe C. B. de Oliveira

The Journal of Physical Chemistry Letters, v. 9, p. 1377-1383 (2018)

Explicit Aqueous Solvation Treatment of Epinephrine from Car–Parrinello Molecular Dynamics: Effect of Hydrogen Bonding on the Electronic Absorption Spectrum Ler o artigo →

Arsênio P. V. Neto; Daniel F. S. Machado; Thiago O. Lopes; Ademir J. Camargo; Heibbe C. B. de Oliveira

The Journal of Physical Chemistry B, v. 122, p. 8439-8450 (2018)

From Live Cells to Caenorhabditis elegans: Selective Staining and Quantification of Lipid Structures Using a Fluorescent Hybrid Benzothiadiazole Derivative Ler o artigo →

Alberto A. R. Mota; José R. Corrêa; Lorena P. de Andrade; José Antônio Fagundes Assumpção; Giovana A. de Souza Cintra; Lúcio H. Freitas-Júnior; Wender A. Silva; Heibbe C. B. de Oliveira; Brenno A. D. Neto

ACS Omega, v. 3, p. 3874-3881 (2018)

Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling Ler o artigo →

Nayara D. Coutinho; Flávio O. Sanches-Neto; Valter H. Carvalho‐Silva; Heibbe C. B. de Oliveira; Luiz Antônio Ribeiro; Vincenz̊o Aquilanti

Journal of Computational Chemistry, v. 39, p. 2508-2516 (2018)

The influence of the configuration of the (C70)2 dimer on its rovibrational spectroscopic properties: a theoretical survey Ler o artigo →

Rodrigo A. Lemos Silva; Sandro Francisco de Brito; Daniel F. S. Machado; Valter H. Carvalho‐Silva; Heibbe C. B. de Oliveira; Luciano Ribeiro

Journal of Molecular Modeling, v. 24, p. 235-235 (2018)

Theoretical Study of Doped Fullerene for Transport and Detection of Carbamazepine Ler o artigo →

Rodrigo A. Lemos Silva; Daniel F. S. Machado; Luciano Ribeiro; Heibbe C. B. de Oliveira; Demétrio A. da Silva Filho

Livro de Resumos do VII Simpósio de Estrutura Eletrônica e Dinâmica Molecular (SEEDMOL) (2018)

2017 5 papers

A novel analytical potential function for dicationic diatomic molecular systems based on deformed exponential function Ler o artigo →

Machado, Daniel F. S.; SILVA, RODRIGO A. L.; DE OLIVEIRA, ANA PAULA; CARVALHO-SILVA, VALTER H.; Gargano, Ricardo; Ribeiro, Luciano; DE OLIVEIRA, HEIBBE C. B

JOURNAL OF MOLECULAR MODELING, v. 23, p. 182 (2017)

Charge-tagged N-heterocyclic carbenes (NHC): Direct transfer from ionic liquid solutions and long-lived nature in the gas phase. Ler o artigo →

RODRIGUES, THYAGO S.; LESAGE, DENIS; DA SILVA, WENDER A.; COLE, RICHARD B.; EBELING, GÜNTER; DUPONT, JAÏRTON; DE OLIVEIRA, HEIBBE C. B.; EBERLIN, MARCOS N.; Neto, Brenno A. D

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY, v. 28, p. 1021-1029 (2017)

Effect of the crystalline environment on the third-order nonlinear optical properties of L-arginine phosphate monohydrate: a theoretical study. Ler o artigo →

VALVERDE, CLODOALDO; RODRIGUES, ROSEMBERG F. N.; Machado, Daniel F. S.; BASEIA, BASÍLIO; DE OLIVEIRA, HEIBBE C. B

JOURNAL OF MOLECULAR MODELING, v. 23, p. 122 (2017)

Rovibrational spectroscopic constants of the interaction between ammonia and metallo-phthalocyanines: a theoretical protocol for ammonia sensor design Ler o artigo →

BAGGIO, ALAN R.; Machado, Daniel F. S.; CARVALHO-SILVA, VALTER H.; PATERNO, LEONARDO G.; DE OLIVEIRA, HEIBBE CRISTHIAN B

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v. 1, p. 1-1 (2017)

Synthesis, structural characterization and computational study of a novel amino chalcone: a potential nonlinear optical material. Ler o artigo →

ALMEIDA, LEONARDO R.; ANJOS, MURILO M.; RIBEIRO, GABRIELA C.; VALVERDE, CLODOALDO; Machado, Daniel F. S.; Oliveira, Guilherme R.; NAPOLITANO, HAMILTON B.; DE OLIVEIRA, HEIBBE C. B

NEW JOURNAL OF CHEMISTRY, v. 41, p. 1744-1754 (2017)

2016 5 papers

4-Component correlated all-electron study on Eka-actinium Fluoride (E121F) including Gaunt interaction: Accurate analytical form, bonding and influence on rovibrational spectra Ler o artigo →

AMADOR, DAVI H.T.; de Oliveira, Heibbe C.B.; SAMBRANO, JULIO R.; Gargano, Ricardo; DE MACEDO, LUIZ GUILHERME M

Chemical Physics Letters (Print), v. 662, p. 169-175 (2016)

Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime Ler o artigo →

CARVALHO-SILVA, VALTER H.; AQUILANTI, VINCENZO; DE OLIVEIRA, HEIBBE C. B.; Mundim, Kleber C

JOURNAL OF COMPUTATIONAL CHEMISTRY, v. 38, p. 178-188 (2016)

Stereodirectional Origin of -Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born-Oppenheimer Molecular Dynamics for OH + HBr. Ler o artigo →

COUTINHO, NAYARA D.; AQUILANTI, VINCENZO; Silva, Valter H. C.; Camargo, Ademir J.; Mundim, Kleber C.; DE OLIVEIRA, HEIBBE C. B

The Journal of Physical Chemistry. A, v. 120, p. 5408-5417 (2016)

Strong Solvent Effects on the Nonlinear Optical Properties of and Isomers from Azo-Enaminone Derivatives. Journal of Physical Chemistry Ler o artigo →

Machado, Daniel F. S.; LOPES, THIAGO O.; LIMA, IGO T.; DA SILVA FILHO, DEMÉTRIO A.; DE OLIVEIRA, HEIBBE C. B

C, v. 31, p. acs.jpcc.6b01567-17669 (2016)

Synthesis, Structure, Properties, and Bioimaging of a Fluorescent Nitrogen-Linked Bisbenzothiadiazole Ler o artigo →

MOTA, ALBERTO A. R.; Corrêa, José R.; Carvalho, Pedro H. P. R.; DE SOUSA, NÚBIA M. P.; DE OLIVEIRA, HEIBBE C. B.; Gatto, Claudia C.; DA SILVA FILHO, DEMÉTRIO A.; DE OLIVEIRA, ALINE L.; Neto, Brenno A. D

Journal of Organic Chemistry, v. 81, p. 2958-2965 (2016)

2015 6 papers

Cálculo das Constantes Espectroscópicas e Espectro Rovibracional da Molécula de Cl2 em Diferentes Estados Eletrônicos. Ler o artigo →

Machado, Daniel F. S.; LOPES, THIAGO O.; BAGGIO, A. R.; Silva, Valter H. C.; de Oliveira, H. C. B

Revista Processos Químicos, v. 8, p. 21-26 (2015)

Description of the effect of temperature on food systems using the deformed Arrhenius rate law: deviations from linearity in logarithmic plots vs. inverse temperature. Ler o artigo →

COUTINHO, NAYARA D.; Silva, Valter H. C.; Mundim, Kleber C.; DE OLIVEIRA, HEIBBE C. B

REND LINCEI-SCI FIS, v. 26, p. 141-149 (2015)

O uso de frações contínuas na associação infinita de resistores: uma abordagem descomplicada. Ler o artigo →

VALVERDE, C.; Moreira, G. E.; ALVES, G. H. S; de Oliveira, H. C. B

Revista de Ensino de Ciências e Engenharia, v. 6, p. 34 (2015)

Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction. Ler o artigo →

COUTINHO, NAYARA DANTAS; Silva, Valter Henrique Carvalho; DE OLIVEIRA, HEIBBE C. B.; Camargo, Ademir J.; MUNDIM, KLEBER CARLOS; AQUILANTI, VINCENZO

Journal of Physical Chemistry Letters, v. 6, p. 150407132853004 (2015)

Synthesis of 2-arylbenzimidazoles under mild conditions catalyzed by a heteropolyacid-containing task-specific ionic liquid and catalyst investigation by electrospray (tandem) mass spectrometry. Ler o artigo →

ALVIM, HALINE G. O.; DE OLIVEIRA, HEIBBE C. B.; BATAGLION, GIOVANA A.; EBERLIN, MARCOS N.; Ramos, Luciana M.; SILVA, WENDER A

RSC Advances: an international journal to further the chemical sciences, v. 5, p. 69418-69422 (2015)

Theoretical Photophysics (DFT) of Fluorescent Benzothiadiazole Probes. Ler o artigo →

MOTA, ALBERTO A. R.; Corrêa, José R.; LOPES, THIAGO O.; OLIVEIRA, HEIBBE C. B. DE; D. NETO, BRENNO A

Revista Virtual de Química, v. 7, p. 357 (2015)

2014 13 papers

Alternative analytical forms to model diatomic systems based on the deformed exponential function. Ler o artigo →

DA FONSÊCA, JOSÉ ERINALDO; DE OLIVEIRA, HEIBBE CRISTHIAN B.; DA CUNHA, WILIAM FERREIRA; Gargano, Ricardo

Journal of Molecular Modeling (Print), v. 20, p. 2297 (2014)

Bioimaging, cellular uptake and dynamics in living cells of a lipophilic fluorescent benzothiadiazole at low temperature (4 °C). Ler o artigo →

MOTA, ALBERTO A. R.; Carvalho, Pedro H. P. R.; GUIDO, BRUNA C.; DE OLIVEIRA, HEIBBE C. B.; SOARES, THEREZA A.; Corrêa, José R.; Neto, Brenno A. D

Chemical Science: a new journal for findings of exceptional significance from across the chemical sciences, v. 5, p. 3995 (2014)

Design, synthesis and application of fluorescent 2,1,3-benzothiadiazole-triazole-linked biologically active lapachone derivatives. Ler o artigo →

DA CRUZ, EDUARDO H. G.; Carvalho, Pedro H. P. R.; Corrêa, José R.; SILVA, DIEGO A. C.; DIOGO, EMILAY B. T.; DE SOUZA FILHO, JOSÉ D.; CAVALCANTI, BRUNO C.; PESSOA, CLAUDIA; DE OLIVEIRA, HEIBBE C. B.; GUIDO, BRUNA C.; DA SILVA FILHO, DEMÉTRIO A.; Neto, Brenno A. D.; DA SILVA JÚNIOR, EUFRÂNIO N

New Journal of Chemistry (1987), v. 38, p. 2569 (2014)

Designed Benzothiadiazole Fluorophores for Selective Mitochondrial Imaging and Dynamics. Ler o artigo →

Carvalho, Pedro H. P. R.; CORREA, JOSE R.; GUIDO, BRUNA C.; Gatto, Claudia C.; DE'OLIVEIRA, HEIBBE C. B.; SOARES, THEREZA A.; Neto, Brenno A. D

Chemistry - A European Journal, v. 20, p. n/a-n/a (2014)

Designed non-symmetrical 4,7-pi-extended-2,1,3-benzothiadiazole derivatives: Synthesis guided by DFT predictions Ler o artigo →

LOPES, THIAGO O.; DA SILVA FILHO, DEMÉTRIO A.; LAPIS, ALEXANDRE A. M.; DE OLIVEIRA, HEIBBE C. B.; Neto, Brenno A. D

Journal of Physical Organic Chemistry, v. 27, p. n/a-n/a (2014)

Effect of the Methanol Molecule on the Stabilization of C 18 H 18 O 4 Crystal: Combined Theoretical and Structural Investigation. Ler o artigo →

SALLUM, LÓIDE O.; NAPOLITANO, HAMILTON B.; CARVALHO, PAULO DE SOUSA; CIDADE, AMANDA FEITOSA; DE AQUINO, GILBERTO LUCIO BENEDITO; COUTINHO, NAYARA D.; Camargo, Ademir J.; ELLENA, JAVIER; DE OLIVEIRA, HEIBBE C. B.; Silva, Valter H. C

The Journal of Physical Chemistry. A, v. 118, p. 10048-10056 (2014)

Facts, Presumptions and Myths on the Solvent-Free and Catalyst-Free Biginelli Reaction. What is Catalysis for? Ler o artigo →

ALVIM, HALINE; DE LIMA, TATIANI B.; DE OLIVEIRA, ALINE L.; DE OLIVEIRA, HEIBBE C. B.; SILVA, FABRICIO M.; GOZZO, FABIO C; SOUZA, ROBERTO Y.; DA SILVA, WENDER ALVES; Neto, Brenno A. D

Journal of Organic Chemistry, v. 79, p. 140325145336006 (2014)

Morita-Baylis-Hillman Reaction: ESI-MS(/MS) Investigation with Charge Tags and Ionic Liquid Effect Origin Revealed by DFT Calculations. Ler o artigo →

RODRIGUES, THYAGO S.; Silva, Valter H. C.; LALLI, PRISCILA M.; DE OLIVEIRA, HEIBBE C. B.; DA SILVA, WENDER A.; COELHO, FERNANDO; EBERLIN, MARCOS N.; Neto, Brenno A. D

Journal of Organic Chemistry, v. 79, p. 5239-5248 (2014)

Phosphine-free Heck reaction: mechanistics insights and catalysis on water with a charge-tagged palladium complex. Ler o artigo →

Neto, Brenno A. D.; SANTOS, MARCELO R.; DUTRA, ROMULO C.; GODOI, MARLA N.; MONTEIRO, ADRIANO; OLIVEIRA, HEIBBE C. B.; EBERLIN, MARCOS N

New Journal of Chemistry (1987), v. n/a, p. n/a (2014)

Probing the mechanism of the Ugi four-component reaction with charge-tagged reagents by ESI-MS(/MS). Ler o artigo →

MEDEIROS, GISELE A.; DA SILVA, WENDER A.; BATAGLION, GIOVANA A.; FERREIRA, DAVI A. C.; DE OLIVEIRA, HEIBBE C. B.; EBERLIN, MARCOS N.; Neto, Brenno A. D

Chemical Communications (London. 1996. Print), v. 50, p. 338 (2014)

Solid, Solution and Gas Phase Interactions of an Imidazolium-Based Task-Specific Ionic Liquid Derived from Natural Kojic Acid. Ler o artigo →

Neto, Brenno A. D.; MOTA, ALBERTO A. R.; Gatto, Claudia C.; MACHADO, GIOVANNA; FASCIOTTI, MAÍRA; OLIVEIRA, HEIBBE C. B. DE; FERREIRA, DAVI A. C.; BIANCHI, OTAVIO; EBERLIN, MARCOS N

Journal of the Brazilian Chemical Society (Impresso), v. 25, p. 2280 (2014)

Structural Organization and Supramolecular Interactions of the Task-specific Ionic Liquid 1-Methyl-3-Carboxymethylimidazolium Chloride: Solid, Solution and Gas Phase Structures. Ler o artigo →

MOTA, ALBERTO; GATTO, CLAUDIA C; MACHADO, GIOVANNA; DE OLIVEIRA, HEIBBE C. B.; FASCIOTTI, MAÍRA; BIANCHI, O.; EBERLIN, MARCOS N.; Neto, Brenno A. D

Journal of Physical Chemistry. C, v. 118, p. 140715095433000 (2014)

Task-specific ionic liquid incorporating anionic heteropolyacid-catalyzed Hantzsch and Mannich multicomponent reactions. Ionic liquid effect probed by ESI-MS(/MS). Ler o artigo →

ALVIM, HALINE G.O.; BATAGLION, GIOVANA A.; Ramos, Luciana M.; DE OLIVEIRA, ALINE L.; de Oliveira, Heibbe C.B.; EBERLIN, MARCOS N.; DE MACEDO, JULIO L.; DA SILVA, WENDER A.; NETO, BRENNO A.D

Tetrahedron (Oxford. Print), v. 70, p. 3306-3313 (2014)

2013 8 papers

Alternative Approach to Calculate Two-Center Overlap Matrix through Deformed Exponential Function. Ler o artigo →

Rangel, Fernando C.; MAMIYA, ARTHUR A.; DE OLIVEIRA, HEIBBE C. B.; VIEIRA, FERNANDO M. C.; Mundim, Kleber C

The Journal of Physical Chemistry. A, v. 117, p. 130717152420003 (2013)

Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations. Ler o artigo →

Neto, Brenno A. D.; VIANA, BARBARA F. L.; RODRIGUES, THYAGO S.; LALLI, PRISCILA M.; EBERLIN, MARCOS N.; DA SILVA, WENDER A.; DE OLIVEIRA, HEIBBE C. B.; Gatto, Claudia C

Dalton Transactions (2003. Print), v. 42, p. 11497 (2013)

Ionic Liquid Effect over the Biginelli Reaction under Homogeneous and Heterogeneous Catalysis

ALVIM, Haline G. O.; DE LIMA, Tatiani B.; DE OLIVEIRA, Heibbe C. B.; GOZZO, Fabio C.; DE MACEDO, Julio L.; ABDELNUR, Patricia V.; SILVA, Wender A.; NETO, Brenno A. D.

ACS Catalysis, v. 3, p. 1420-1430 (2013)

Probing deep into the interaction of a fluorescent chalcone derivative and bovine serum albumin (BSA): an experimental and computational study. Ler o artigo →

ALVIM, HALINE G. O.; FAGG, EMMA L.; DE OLIVEIRA, ALINE L.; DE OLIVEIRA, HEIBBE C. B.; FREITAS, SONIA M.; XAVIER, MARY-ANN E.; SOARES, THEREZA A.; GOMES, ALEXANDRE F.; GOZZO, FABIO C.; SILVA, WENDER A.; Neto, Brenno A. D

Organic & Biomolecular Chemistry, v. 11, p. 4764 (2013)

Termodinâmica de Não-Equilíbrio em Cinética de Reações Químicas. Ler o artigo →

CARVALHO-SILVA, VALTER H.; Mundim, Kleber C.; de Oliveira, H. C. B

REVISTA PROCESSOS QUÍMICOS, v. 14, p. 9 (2013)

The Biginelli Reaction with an Imidazolium-Tagged Recyclable Iron Catalyst: Kinetics, Mechanism, and Antitumoral Activity. Ler o artigo →

Ramos, Luciana M.; GUIDO, BRUNA C.; NOBREGA, CATHARINE C.; Corrêa, José R.; Silva, Rafael G.; DE'OLIVEIRA, HEIBBE C. B.; GOMES, ALEXANDRE F.; GOZZO, FÁBIO C.; Neto, Brenno A. D

Chemistry (Weinheim. Print), v. 19, p. 4156-4168 (2013)

Theoretical investigation on ruthenium tetraazaporphyrin as potential nitric oxide carrier in biological systems Ler o artigo →

LIMA, JOSÉ M. M.; Silva, Valter H. C.; CAMARGO, LILIAN T. F. M.; OLIVEIRA, HEIBBE C. B.; Camargo, Ademir J

Journal of Molecular Modeling (Print), v. 19, p. 1727-1737 (2013)

Uniform description of non-Arrhenius temperature dependence of reaction rates, and a heuristic criterion for quantum tunneling vs classical non-extensive distribution. Ler o artigo →

Silva, Valter H.C.; AQUILANTI, VINCENZO; de Oliveira, Heibbe C.B.; Mundim, Kleber C

Chemical Physics Letters (Print), v. 590, p. 201-207 (2013)

2012 6 papers

Controlling Excitation Inversion of a Cooper Pair Box Interacting with a Nanomechanical Resonator

VALVERDE, C.; de Oliveira, H. C. B.; AVELAR, A. T.; BASEIA, B.

Chinese Physics Letters, v. 29, p. 080303 (2012)

Fully relativistic rovibrational energies and spectroscopic constants of the lowest X(1)0g+, A(1)2u, A(1)1u, B'(1)0u- and B(1)0u+ states of molecular chlorine

Machado, Daniel F. S.; Silva, Valter H. C.; Esteves, Cristiano S.; Gargano, Ricardo; Macedo, Luiz G. M.; Mundim, Kleber C.; de Oliveira, Heibbe C. B.

Journal of Molecular Modeling, v. 18, p. 1-10 (2012)

Mechanistic Studies on Lewis Acid Catalyzed Biginelli Reactions in Ionic Liquids: Evidence for the Reactive Intermediates and the Role of the Reagents

Ramos, Luciana M.; Ponce de Leon y Tobio, Adrian Y.; Dos Santos, Marcelo R.; de Oliveira, Heibbe C. B.; Gomes, Alexandre F.; Gozzo, Fabio C.; de Oliveira, Aline L.; Neto, Brenno A. D.

Journal of Organic Chemistry, v. 77, p. 10184-10193 (2012)

Selective and Efficient Mitochondrial Staining with Designed 2,1,3-Benzothiadiazole Derivatives as Live Cell Fluorescence Imaging Probes

NETO, Brenno A. D.; Corrêa, José R.; Carvalho, Pedro H. P. R.; Santos, Diego C. B. D.; Guido, B. C.; Gatto, Claudia C.; de Oliveira, Heibbe C. B.; Fasciotti, M.; Eberlin, M. N.; Silva Júnior, E. N.

Journal of the Brazilian Chemical Society, v. 23, p. 770-781 (2012)

Structure and theoretical approaches to a chalcone derivative

Oliveira, Guilherme R.; Oliveira, Heibbe Cristhian B.; Silva, Wender Alves; Silva, Valter Henrique Carvalho; Sabino, José Ricardo; Martins, Felipe T.; de Oliveira, H. C. B.

Structural Chemistry, v. 23, p. 9972 (2012)

Synthesis, properties and highly selective mitochondria staining with novel, stable and superior benzothiadiazole fluorescent probes

NETO, Brenno A. D.; Carvalho, Pedro H. P. R.; Santos, Diego C. B. D.; Gatto, Claudia C.; Ramos, Luciana M.; Vasconcelos, Nathalia M. de; Corrêa, José R.; Costa, Maísa B.; de Oliveira, Heibbe C. B.; Silva, Rafael G.

RSC Advances, v. 2, p. 1524 (2012)