José Walkimar de M. Carneiro

Universidade Federal Fluminense — Brazil

Materials Science · Physical Sciences

29h-index3.4kcitations255works1.42yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Crystallization and Solubility Studies(34), X-ray Diffraction in Crystallography(34), Advanced Chemical Physics Studies(31), Crystallography and molecular interactions(28), Bioactive Compounds and Antitumor Agents(24)

Publications255 total

Force Constant, Bond Energies, Bond Strength, and Whatsoever
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Force Constant, Bond Energies, Bond Strength, and Whatsoever
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Environmental Pollutants and Protein Destabilization in Lung Cancer: Anticancer Drug Strategies for Structural Stability
ACS Omega·2026Open Access
Running Shoes for Desert Marathons: A Biomimetic Approach Inspired by the Camel
Encontro de Sustentabilidade em Projetos·2025
A Slab Break-Off Model for Mafic–Ultramafic Igneous Rocks in the South Brasília Belt: Insights Related to Post-Collisional Magmatism
SSRN Electronic Journal·2025Open Access
Isolation, X-ray crystal structure and DFT calculations for 9β,13β-epoxy-7-abietene from the essential oil of Tetradenia riparia
Journal of Molecular Structure·2024
Multicomponent double Povarov reaction for julolidine: Synthesis and mechanistic insights
Molecular Catalysis·2024· 1 cited
Mechanistic Insights into the Efficiency of Formaldehyde-Based Compounds and Glyoxal as H<sub>2</sub>S Scavengers
Industrial & Engineering Chemistry Research·2024· 1 citedOpen Access
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
Journal of Molecular Modeling·2024
Density functional theory investigation of the contributions of π-π stacking and hydrogen bonding with water to the supramolecular aggregation interactions of model asphaltene heterocyclic compounds
Journal of Molecular Modeling·2024· 15 citedOpen Access
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
Research Square (Research Square)·2024Open Access
Density Functional Theory Investigation of the Contributions of π−π Stacking and Hydrogen Bonding with Water to the Supramolecular Aggregation Interactions of Model Asphaltene Heterocyclic Compounds
Research Square (Research Square)·2024Open Access
Author response for "Exploring borderline S&lt;sub&gt;N&lt;/sub&gt;1–S&lt;sub&gt;N&lt;/sub&gt;2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride"
2024
DESENVOLVIMENTO TECNOLÓGICO E CIENTÍFICO E SEUS IMPACTOS NAS DINÂMICAS SOCIAIS
2024Open Access
Structural and thermodynamic insights into the coordination preference of norbornadiene with the initiator complex [RuCl<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub>(piperidine)] in polymerization <i>via</i> olefin metathesis
Physical Chemistry Chemical Physics·2024· 1 cited
Microporous Nitrogen-Doped Activated Biochars Derived from Corn: Use of Husk Waste and Urea for CO2 Capture
Journal of the Brazilian Chemical Society·2024· 2 citedOpen Access
Exploring borderline S <sub>N</sub> 1–S <sub>N</sub> 2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride
RSC Advances·2024· 3 citedOpen Access
Going beyond structural effects: explicit solvation influence on the rotational isomerism of <i>C</i>-glycosylated flavonoids
Organic Chemistry Frontiers·2023· 2 cited
Computation-Guided Support to Experiments by the Exploration of Reaction Mechanisms: Organic Synthesis, Natural Products and Environmental Issues
Figshare·2023Open Access
Computation-Guided Support to Experiments by the Exploration of Reaction Mechanisms: Organic Synthesis, Natural Products and Environmental Issues
Journal of the Brazilian Chemical Society·2023· 3 citedOpen Access
page 1 of 13Next →

Frequent Co-authors

Wolfram Koch(6), Mateus R. Lage(6), Paul v. R. Schleyer(5), Maria D. Vargas(5), Donato Alexandre Gomes Aranda(4), Stanislav R. Stoyanov(4), Célia M. Ronconi(4), Paul von Ragué Schleyer(4), Alex Gutterres Taranto(4), Leonardo Moreira da Costa(3), Sergey Gusarov(3), Peter Rudolf Seidl(3), Andriy Kovalenko(3), Thiago C. dos Santos(3), Rodolfo G. Fiorot(3), Vı́tor F. Ferreira(3), Luiz C. A. Barbosa(3), Sandro J. Greco(3), O. A. C. Antunes(2), Pierre M. Esteves(2)