José Walkimar de M. Carneiro
Universidade Federal Fluminense
H-index: 29
Latin America-Brazil
Top articles of José Walkimar de M. Carneiro
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Density Functional Theory Investigation of the Contributions of π− π Stacking and Hydrogen Bonding with Water to the Supramolecular Aggregation Interactions of Model Asphaltene … | Milena D Lessa Stanislav R Stoyanov José Walkimar M Carneiro Leonardo M Costa | 2024/2/5 | |
Structural and thermodynamic insights into the coordination preference of norbornadiene with the initiator complex [RuCl 2 (PPh 3) 2 (piperidine)] in polymerization via olefin … | Physical Chemistry Chemical Physics | José Antonio de Sousa José Luiz da Silva Sá José Walkimar de Mesquita Carneiro José Milton Elias de Matos | 2024 |
Exploring borderline SN 1–SN 2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride | RSC advances | Karine Nascimento de Andrade Bárbara Pereira Peixoto José Walkimar de Mesquita Carneiro Rodolfo Goetze Fiorot | 2024 |
Microporous Nitrogen-Doped Activated Biochars Derived from Corn: Use of Husk Waste and Urea for CO2 Capture | Journal of the Brazilian Chemical Society | Danilo Hisse Isabela AA Bessa Ludmila PC Silva Aline FM da Silva Joyce R Araujo | 2024/4/19 |
Mechanistic insights into C (sp2)-H activation in 1-Phenyl-4-vinyl-1H-1, 2, 3-triazole derivatives: a theoretical study with palladium acetate catalyst | Wagner F Fogos Milena D Lessa Fernando Carvalho da Silva José Walkimar M Carneiro | 2024/3/13 | |
Going beyond structural effects: explicit solvation influence on the rotational isomerism of C-glycosylated flavonoids | Organic Chemistry Frontiers | Karine N de Andrade Lucas H Martorano Guilherme S Correa Fernando M dos Santos José Walkimar de M Carneiro | 2023 |
Computation-Guided Support to Experiments by the Exploration of Reaction Mechanisms: Organic Synthesis, Natural Products and Environmental Issues | Karine N de Andrade José Renato D Fajardo Caio A Leal José Walkimar M Carneiro Rodolfo G Fiorot | 2023/5/26 | |
Synthetic naphthoquinone derivatives as anticancer agents in ovarian cancer: cytotoxicity assay and investigation of possible biological mechanisms action | Chemistry & Biodiversity | Renata Dalmaschio Daltoé Leticia Batista Azevedo Rangel Maicon Delarmelina Klesia Pirola Madeira Marcella Leite Porto | 2023/2 |
Supramolecular dimers drive the reaction between CO2 and alkanolamines towards carbonate formation | Journal of CO2 Utilization | Thiago C dos Santos Mateus R Lage Aline FM da Silva Tamires S Fernandes José Walkimar de M Carneiro | 2022/7/1 |
A Stereoselective, Base‐free, Palladium‐Catalyzed Heck Coupling Between 3‐halo‐1,4‐Naphthoquinones and Vinyl‐1H‐1,2,3‐Triazoles | ChemistrySelect | Dora CS Costa Luana da SM Forezi Milena D Lessa Maicon Delarmelina Beatriz VA Matuck | 2022/6/27 |
Influence of the metal − support and metal − metal interactions on Pd nucleation and NO adsorption in a Pd4/γ-Al2O3 (110D) model | Journal of Molecular Modeling | Letícia M Prates José W De M. Carneiro Maurício T De M. Cruz | 2022/12 |
Unveiling the photophysical properties of 3-acyl-6-amino-4-quinolones and their use as proton probes | Dyes and Pigments | Amanda RP Costa Karine N de Andrade Micaeli LS Moreira Vanessa G Oliveira José WM Carneiro | 2022/11/1 |
Revisiting the structure of Heliannuol L: A computational approach | Magnetic Resonance in Chemistry | Lucas H Martorano Jordana T Brito Ana Carolina F de Albuquerque Carlos Magno Rocha Ribeiro Rodolfo Goetze Fiorot | 2022/4 |
Theoretical study of keto-enol tautomerism in 7-epi-clusianone by quantum chemical calculations of NMR chemical shifts | Journal of Molecular Modeling | Ana Carolina F de Albuquerque Guilherme S Corrêa Gustavo T Albuquerque Fabio Luiz P Costa Luciano T Costa | 2022/8 |
2,5-Diketopiperazines via Intramolecular N-Alkylation of Ugi Adducts: A Contribution to the Synthesis, Density Functional Theory Study, X-ray Characterization, and … | Journal of Agricultural and Food Chemistry | Lorena L Mendes Jodieh OS Varejão José Antônio de Souza Jose Walkimar de M Carneiro Ana KSM Valdo | 2022/2/7 |
Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds | Catalysis Communications | Maicon Delarmelina José Walkimar de M Carneiro C Richard A Catlow Michael Bühl | 2022/2/1 |
Synthesis, characterization, and thermal and computational investigations of the l-histidine bis(fluoride) crystal | Journal of Molecular Modeling | Ian Felipe Sousa Reis Jailton Romão Viana João Gomes de Oliveira Neto Stanislav R Stoyanov José Walkimar de M. Carneiro | 2022/8 |
SN1 vs SN2 on sp3 carbon: exploring structural and electronic effects of substrate by DFT | Bárbara Pereira Peixoto Karine de Andrade Rodolfo Goetze Fiorot José Walkimar de Mesquita Carneiro | 2021 | |
The structure of dichlorotris (triphenylphosphine) ruthenium (II): a DFT study of interaction energies and substitution mechanism | Molecular Simulation | José Antônio de Sousa Mayrla Letícia Alves de Oliveira Francisco das Chagas Alves Lima Jose Luiz Silva Sa Benedito dos Santos Lima Neto | 2021/5/24 |
Synthetic enamine naphthoquinone derived from lawsone as cytotoxic agents assessed by in vitro and in silico evaluations | Bioorganic & Medicinal Chemistry Letters | Bárbara C Lemos Regina Westphal Eclair Venturini Filho Rodolfo G Fiorot José Walkimar M Carneiro | 2021/12/1 |
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