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

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  2. Development of efficient both work function and electric type sensor for the detection of nitrous oxide toxic gas via TM metal boron nitride graphdiyne nanosheets: A DFT study

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  3. Experimental and Theoretical Investigation of Intermolecular Interactions in Nitromethane and Its Solutions

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  4. Intermolecular interactions in acetate esters: a Raman spectroscopy and theoretical analysis of the non-coincidence effect

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    ArticleSpectroscopy and Quantum Chemical StudiesMonatshefte für Chemie - Chemical Monthly20250 citations
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  5. Raman Spectra and Quantum-Chemical Computational Analysis of Intermolecular Interactions in Ortho-Xylene and Its Solutions with Chloroform

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  6. Structural, electronic and vibrational properties of sulfated β--5 lignin model compounds: a DFT investigation

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    ArticleLignin and Wood ChemistryMendeleev Communications20260 citations
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