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Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations

А. Jumabaev, Bekzod Khudaykulov, Utkirjon Holikulov, A. Norkulov, Jeyavijayan Subbiah, Omar M. Al-Dossary, H. Hushvaktov, Ahmad Absanov, Noureddine Issaoui

2025Optical Materials30 citationsDOI

Topics & Concepts

AcetophenoneHOMO/LUMOComputational chemistryChemistryPhysical chemistryMoleculeOrganic chemistryCatalysisNonlinear Optical Materials ResearchOrganic Chemistry Cycloaddition ReactionsInorganic and Organometallic Chemistry
Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations | Litcius