josefredo rodriguez pliego junior

BFQ - DEPARTAMENTO DE CIÊNCIAS NATURAIS

Produção Intelectual

Artigos (23)

• 2022, Josefredo Rodriguez Pliego Junior , FORMAÇÃO DE AZEÓTROPOS DO PONTO DE VISTA DA TERMODINÂMICA DE SOLVATAÇÃO, ISSN: 16787064
• 2022, Josefredo Rodriguez Pliego Junior , Copper-Catalyzed Aromatic Fluorination of 2-(2-bromophenyl)pyridine via Cu(I)/Cu(III) Mechanism in Acetonitrile Solvent: Cluster-Continuum Free Energy Profile and Microkinetic Analysis, ISSN: 24688231
• 2022, Josefredo Rodriguez Pliego Junior , Copper-Mediated Aromatic Fluorination Using N-Heterocycle-Carbene Ligand: Free Energy Profile of the Cu(I)/Cu(III) and Cu(II) radical Mechanisms, ISSN: 0022328X
• 2022, Fernando Marques Lisboa, Josefredo Rodriguez Pliego Junior , SN2 versus E2 reactions in a complex microsolvated environment: theoretical analysis of the equilibrium and activation steps of a nucleophilic fluorination, ISSN: 16102940
• 2022, Josefredo Rodriguez Pliego Junior , Car-Parrinello Molecular Dynamics Study of CuF, AgF, CuPF6 and AgPF6 in Acetonitrile Solvent and Cluster-Continuum Calculation of the Solvation Free Energy of Cu(I), Ag(I) and Li(I), ISSN: 01677322
• 2022, Josefredo Rodriguez Pliego Junior , QM/MM and Molecular Dynamics Simulation of the Structure and Dissociation of CuF in Acetonitrile Solvent, ISSN: 00092614
• 2021, Virgínia Camila Rufino, Josefredo Rodriguez Pliego Junior , Single-Ion Solvation Free Energy: A New Cluster-Continuum Approach Based on the Cluster Expansion Method, ISSN: 14639076
• 2021, Josefredo Rodriguez Pliego Junior , The Role of Intermolecular Forces in Ionic Reactions: the Solvent Effect, Ion-Pairing, Aggregates and Structured Environment, ISSN: 14770520
• 2021, Josefredo Rodriguez Pliego Junior , Diradical Character of the Bond Breaking in the Reaction of Br2 with Benzene: Reliable Barriers Using the CR-CC(2,3) Method, ISSN: 2210271X
• 2021, Josefredo Rodriguez Pliego Junior , Catalytic Cycle and off-Cycle Steps in the Palladium-Catalyzed Fluorination of Aryl Bromide with Biaryl Monophosphine Ligands: Theoretical Free Energy Profile, ISSN: 24688231
• 2021, Isac Camilo Nogueira, Josefredo Rodriguez Pliego Junior , Phenol alkylation under phase transfer catalysis conditions: Insights on the mechanism and kinetics from computations, ISSN: 24688231
• 2021, Virgínia Camila Rufino, Josefredo Rodriguez Pliego Junior , Bifunctional Primary Amino¿thiourea Asymmetric Catalysis: The Imine¿Iminium Ion Mechanism in the Michael Addition of Nitromethane to Enone, ISSN: 21935807
• 2020, Samuel Luiz Silva, VALLE, MARCELO S., Josefredo Rodriguez Pliego Junior , Nucleophilic Fluorination with KF Catalyzed by 18-crown-6 and Bulky Diols: Theoretical and Experimental Study, ISSN: 00223263
• 2020, Samuel Luiz Silva, VALLE, MARCELO S., Josefredo Rodriguez Pliego Junior , Micro-solvation and counter ion effects on ionic reactions: Activation of potassium fluoride with 18-crown-6 and tert-butanol in aprotic solvents, ISSN: 01677322
• 2020, DALESSANDRO, ELLEN V., Josefredo Rodriguez Pliego Junior , Theoretical Design of New Macrocycles for Nucleophilic Fluorination with KF: Thiourea-Crown-ether is Predicted to Overcome the [2.2.2]-Cryptand, ISSN: 20589689
• 2020, Virgínia Camila Rufino, Josefredo Rodriguez Pliego Junior , The Role of Carboxylic Acid Impurity in the Mechanism of the Formation of Aldimines in Aprotic Solvents, ISSN: 2210271X
• 2020, Josefredo Rodriguez Pliego Junior , Theoretical Free Energy Profile and Benchmarking of Functionals for Amino-Thiourea Organocatalyzed Nitro-Michael Addition Reaction, ISSN: 14639076
• 2020, SILVA, CARLOS MAGNO, SILVA, POLIANA LIMA, Josefredo Rodriguez Pliego Junior , Hydroperoxo on the Niobium Oxyhydroxide Surface as the Active Species in the Catalyzed Oxidation of Organic Sulfide by Hydrogen Peroxide, ISSN: 19327447
• 2020, Edna Carolina Cipagauta Esquivel, RUFINO, VIRGINIA C., Matheus Henrique Trindade Nogueira, Ana Carolina Carbonaro Souza, Josefredo Rodriguez Pliego Junior, VALLE, MARCELO S. , Synthesis and characterization of 1,3,5-triarylpyrazol-4-ols and 3,5-diarylisoxazol-4-ols from chalcones and theoretical studies of the stability of pyrazol-4-ol toward acid dehydration, ISSN: 00222860
• 2020, Josefredo Rodriguez Pliego Junior RIVEROS, JOSE M. , Hybrid discrete-continuum solvation methods, ISSN: 17590876
• 2020, Raiane Sodré de Araújo, Márcio André Rodrigues Cavalcanti de Alencar, Aline Moreira de Alcântara, Luis M. G. Abegão, Yago Pereira de Souza, Antônio Carlos Brandão Silva, Rogério Machado, José Joatan Rodrigues Jr, Josefredo Rodriguez Pliego Junior, Marcelo Siqueira Valle , Second harmonic generation in pyrazoline derivatives of dibenzylideneacetones and chalcone: A combined experimental and theoretical approach, ISSN: 10106030
• 2020, DALESSANDRO, ELLEN V., Josefredo Rodriguez Pliego Junior , Reactivity and Stability of Ion Pairs, Dimers and Tetramers versus Solvent Polarity: SNAr Fluorination of 2-bromobenzonitrile with Tetramethylammonium Fluoride, ISSN: 1432881X
• 2020, Virgínia Camila Rufino, Josefredo Rodriguez Pliego Junior , Mechanisms of the formation of imines in aqueous solution and the effect of the pH: a theoretical analysis, ISSN: 15517012

Participações em Bancas de Cursos (8)

• 2022, Qualificação de Mestrado Estudos de ancoragem molecular de naftoquinonas frente as proteases principal e semelhante a papaina do Sars-Cov-2 e desenvolvimento do Minidocking, LUCAS ROLIM MEDAGLIA
• 2021, Dissertação de Mestrado Complexos supramoleculares TBAF/alcoois volumosos como agentes de fluoracao, FERNANDO MARQUES LISBOA
• 2021, Tese Doutorado Estudo Teorico da Arilacao Alfa a Carbonilas, Investigacao de Potenciais Organocatalisadores e Catalise com Complexos Organometalicos de Paladio, DANIELA RIBEIRO SILVA
• 2020, Dissertação de Mestrado INVESTIGACAO TEORICA DO PROCESSO DE INCLUSAO MOLECULAR DE DERIVADOS CUMARINICOS EM CICLODEXTRINAS, MARCELLA FERNANDES MANO MATEUS
• 2020, Dissertação de Mestrado DESIGN COMPUTACIONAL DE NOVOS CATALISADORES SUPRAMOLECULARES DERIVADOS DE ETERES COROA PARA REACOES DE FLUORACAO NUCLEOFILICA COM KF E CsF, ELLEN VASCONCELLOS D'ALESSANDRO
• 2019, Dissertação de Mestrado Mecanismo de preparacao de polimeros de impressao mlecular para o acetamiprido e tiametoxan e estudo da separacao enantiosseletiva do dinotefurano: uma investigacao teorica., CAMILLA FONSECA SILVA
• 2019, Dissertação de Mestrado Investigacao do mecanismo organocatalitico da adicao de Nitroalcanos a Cetonas α,β-insaturadas: uma abordagem teorica, VIRGINIA CAMILA RUFINO
• 2018, Qualificação de Doutorado Estudos Sinteticos Visando a Obtencao de Tetraoxanos Conjugados com Aminas, HUGO PAUL COLLIN

Orientações de Pós-Graduação (18)

• Doutorado, Isac Camilo Nogueira, 03/2018 - , Concluída em 03/2023
• Doutorado, DANIELA RIBEIRO SILVA, 08/2015 - , Concluída em 02/2021
• Doutorado, VIRGINIA CAMILA RUFINO, 03/2019 - , Concluída em 10/2023
• Doutorado, VIRGINIA CAMILA RUFINO, 03/2019 - , Concluída em 10/2023
• Doutorado, ELLEN VASCONCELOS D'ALESSANDRO, 03/2022 - , Orientação em Andamento
• Doutorado, GABRYELLE CARVALHO MARÇAL SALGADO, 03/2024 - , Orientação em Andamento
• Doutorado, Isac Camilo Nogueira, 03/2018 - , Concluída em 03/2023
• Doutorado, DANIELA RIBEIRO SILVA, 08/2015 - , Concluída em 02/2021
• Mestrado, Fernanda do Amaral Luna, 05/2021 - 12/2021 , Orientação em Andamento
• Mestrado, VIRGINIA CAMILA RUFINO, 03/2017 - , Concluída em 03/2019
• Mestrado, LUIS FELIPE DE RESENDE, 08/2022 - , Orientação em Andamento
• Mestrado, VIRGINIA CAMILA RUFINO, 03/2017 - , Concluída em 03/2019
• Mestrado, ELLEN VASCONCELOS D'ALESSANDRO, 03/2018 - , Concluída em 02/2020
• Mestrado, Fernando Marques Lisboa, 03/2018 - , Concluída em 10/2021
• Mestrado, ELLEN VASCONCELOS D'ALESSANDRO, 03/2018 - , Concluída em 02/2020
• Mestrado, Fernando Marques Lisboa, 03/2018 - , Concluída em 10/2021
• Mestrado, GABRYELLE CARVALHO MARÇAL SALGADO, 11/2021 - , Concluída em 12/2023
• Mestrado, GABRYELLE CARVALHO MARÇAL SALGADO, 11/2021 - , Concluída em 12/2023