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Intermolecular interactions in water and ethanol solution of ethyl acetate: Raman, DFT, MEP, FMO, AIM, NCI-RDG, ELF, and LOL analyses
A Jumabaev, SJ Koyambo-Konzapa… - Journal of Molecular …, 2024 - Springer
Context The intermolecular interactions of ethyl acetate (EtOAc)-water (H2O)/ethanol (EtOH)
mixtures were investigated using a combination of Raman spectroscopy and quantum …
mixtures were investigated using a combination of Raman spectroscopy and quantum …
Repurposing of drug candidates against Epstein–Barr virus: Virtual screening, docking computations, molecular dynamics, and quantum mechanical study
Epstein–Barr virus (EBV) was the first tumor virus identified in humans, and it is mostly linked
to lymphomas and cancers of epithelial cells. Nevertheless, there is no FDA-licensed drug …
to lymphomas and cancers of epithelial cells. Nevertheless, there is no FDA-licensed drug …
Molecular Structure, Vibrational Spectroscopy, Thermodynamic Properties, Electronic Behaviors, First-Order Hyperpolarizability, Molecular Docking, and Molecular …
SJ KOYAMBO-KONZAPA - … Docking, and Molecular Dynamics of New … - papers.ssrn.com
The optimized molecular structures and the harmonic vibrational wavenumbers of the insatin
derivatives, designated as compounds 3a, 3b, 3c, and 3d, were calculated in the gas phase …
derivatives, designated as compounds 3a, 3b, 3c, and 3d, were calculated in the gas phase …
Thiazolidinone-Benzylidene with Monoterpenic Skeleton as New Potential Anticancer Agents: Design, Synthesis, Biological Evaluation and Molecular Docking …
A Bouribab, Y Laamari, E Irrou, Y AIT ELMACHKOURI… - papers.ssrn.com
AbstractA new series of thiazolidinone-benzylidene-carvone derivatives were designed,
synthesized, and evaluated for their cytotoxic activity against two human cancer cell lines …
synthesized, and evaluated for their cytotoxic activity against two human cancer cell lines …