Wagner B De Almeida

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 11

Top Topics

Density Functional Theory

Crystal Structure

Top Venues

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Haroldo C Da Silva, Wagner B De Almeida
On the use OF 1 H-NMR chemical shifts and thermodynamic data for the prediction of the predominant conformation of organic molecules in solution: the example of the flavonoid rutin. RSC advances 14 (27) (2024)
Haroldo C Da Silva, Wagner B De Almeida
On the use OF 1 H-NMR chemical shifts and thermodynamic data for the prediction of the predominant conformation of organic molecules in solution: the example of the flavonoid rutin. RSC advances 14 (27) (2024)
Isabel S Hernandes, Haroldo C Da Silva, Hélio F Dos Santos, Eloah P Ávila, Mauro V De Almeida, Wagner B De Almeida
Quantum chemical investigation of predominant conformation of the antibiotic azithromycin in water and DMSO solutions: thermodynamic and NMR analysis. Royal Society open science 10 (10) (2023)
Haroldo C Da Silva, Isabel S Hernandes, Wagner B De Almeida
Quantum Chemical Investigation of the Interaction of Thalidomide Monomeric, Dimeric, Trimeric, and Tetrameric Forms with Guanine DNA Nucleotide Basis in DMSO and Water Solution: A Thermodynamic and NMR Spectroscopy Analysis. ACS omega 8 (40) (2023)
Haroldo C Da Silva, Talita O C Leite, Searitha C Rodrigues, Beatriz L C De Carvalho, Maria Tereza Martins, Rodolfo G Fiorot, Flaviana Rodrigues Fintelman Dias, Vinícius R Campos, Vitor F Ferreira, Anna C Cunha, Wagner B De Almeida
Theoretical Investigation of Regiodivergent Addition of Anilines and Phenolates to p -Benzoquinone Ring. ACS omega 7 (44) (2022)
Isabel S Hernandes, Haroldo C Da Silva, Hélio F Dos Santos, Eloah P Ávila, Mauro V De Almeida, Matheus G R Gomes, Diego F S Paschoal, Wagner B De Almeida
An investigation of the predominant structure of antibiotic azithromycin in chloroform solution through NMR and thermodynamic analysis. Physical chemistry chemical physics : PCCP 24 (37) (2022)
Isabel S Hernandes, Haroldo C Da Silva, Hélio F Dos Santos, Wagner B De Almeida
Unveiling the Molecular Structure of Antimalarial Drugs Chloroquine and Hydroxychloroquine in Solution through Analysis of 1H NMR Chemical Shifts. The journal of physical chemistry. B 125 (13) (2021)
Isabel S Hernandes, Haroldo C Da Silva, Hélio F Dos Santos, Wagner B De Almeida
Conformational Analysis of 5,4'-Dihydroxy-7,5',3'-trimethoxyisoflavone in Solution Using 1H NMR: A Density Functional Theory Approach. The journal of physical chemistry. A 124 (25) (2020)
Eduardo R Almeida, Leonardo A De Souza, Wagner B De Almeida, Hélio F Dos Santos
Chemically Modified Carbon Nanohorns as Nanovectors of the Cisplatin Drug: A Molecular Dynamics Study. Journal of chemical information and modeling 60 (2) (2019)
Leonardo A De Souza, Haroldo C Da Silva, Wagner B De Almeida
Structural Determination of Antioxidant and Anticancer Flavonoid Rutin in Solution through DFT Calculations of 1H NMR Chemical Shifts. ChemistryOpen 7 (11) (2018)
Hélio F Dos Santos, Marcelo A Chagas, Leonardo A De Souza, Willian R Rocha, Mauro V De Almeida, Cleber P A Anconi, Wagner B De Almeida
Water Solvent Effect on Theoretical Evaluation of 1H NMR Chemical Shifts: o-Methyl-Inositol Isomer. The journal of physical chemistry. A 121 (14) (2017)