@article{paperid:1104669, author = {لیلا زارع and عبدالرضا نکویی and Vakili, Mohamad}, title = {Insights into intramolecular hydrogen bonding and π-electron delocalization; a case study on some β-diketone compounds, with special focus on 2-furoylacetone}, journal = {Computational and Theoretical Chemistry}, year = {2025}, volume = {1254}, number = {1}, month = {December}, issn = {2210-271X}, pages = {115542--115558}, numpages = {16}, keywords = {Keto-enol tautomerism; resonance-assisted hydrogen bond; substitution effect; Density functional theory; Natural bond orbital; Atoms in molecules}, }