José Walkimar M de Carneiro

13PUBLICATIONS
35CO-AUTHORS
Chemical and thermal processes in energy and combustionEnvironmental biogeochemistryOrganic chemical synthesisOrganometallic chemistryComputational chemistry
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Publications (13)

|Sep 12, 2026
A Benchmark Study of Machine-Learning Regressors and Semiempirical Quantum Methods for CO2 Capture in Amine-Based Solvents.

|Jan 26, 2026
Environmental Pollutants and Protein Destabilization in Lung Cancer: Anticancer Drug Strategies for Structural Stability.

Reza Rasoolzadeh, Homa Faraji, Leonardo Baptista

|May 23, 2024
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 de Carvalho da Silva

|Apr 17, 2024
Structural and thermodynamic insights into the coordination preference of norbornadiene with the initiator complex [RuCl2(PPh3)2(piperidine)] in polymerization via olefin metathesis.

José Antonio de Sousa, José Luiz da Silva Sá, José Walkimar de Mesquita Carneiro

|Feb 06, 2024
Exploring borderline SN1-SN2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride.

Karine Nascimento de Andrade, Bárbara Pereira Peixoto, José Walkimar de Mesquita Carneiro

|Nov 21, 2022
Influence of the metal - support and metal - metal interactions on Pd nucleation and NO adsorption in a Pd4/γ-Al2O3 (110D) model.

Letícia M Prates, José W De M Carneiro, Maurício T De M Cruz

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Frequent Collaborators

2 joint publications

Mateus Ribeiro Lage

2 joint publications

Stanislav R Stoyanov

2 joint publications

Fernando de Carvalho da Silva

1 joint publications

Maurício T De M Cruz