Výsledky vyhledávání - "Atse Adepo Jacques"

Comparison of Molecular Properties (Stabilities, Reactivity and Interaction) of Manzamenones and Two Antimalarial Drugs (Quinine and Artemisinin) Using Mixed Method Calculations (ONIOM) and DFT (B3LYP)

Autor: Atse Adepo Jacques, Kone Soleymane, Diomande Sékou, Bamba El-Hadji Sawaliho

Publikováno v: Computational Chemistry. 10:1-18

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::722dc3c0b8ba290a970088c4d1bd73fc
https://doi.org/10.4236/cc.2022.101001

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NBO Analysis by ONIOM and DFT (B3LYP) Calculations of Intramolecular and Intermolecular Interactions of Artemisinin, Quinine and Thirteen Manzamenones with H2O or Alanine

Autor: Atse Adepo Jacques, Kone Soleymane, Diomande Sékou, Et Bamba El-Hadji Sawaliho

Publikováno v: Journal of Materials Science and Chemical Engineering. 10:78-98

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4ec500875d7fe9060960cac29acdd650
https://doi.org/10.4236/msce.2022.1010006

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Comparative Theoretical Study of Stability, Lypophilicity, Dipole Moments, Acidity and Spectroscopic Properties of Non-Steroidal Anti-Inflammatory Drugs: Ibuprofen, Ketoprofen and Flurbiprofen

Autor: Kone Soleymane, Assoma Amon Benjamine, Bamba El Hadji Sawaliho, Atse Adepo Jacques

Publikováno v: Chemical Science International Journal. :51-60

A comparative theoretical study of some physicochemical properties of R and S enantiomers of ibuprofen, ketoprofen and flurbiprofen is undertaken in order to understand their reactivity. To do this, DFT and TD-DFT methods at the B3LYP/6-311G(d,p) lev

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::75a236ec24b48fc8be74017f95472b4a
https://doi.org/10.9734/csji/2020/v29i530180

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