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.Phenol which is a weak acid (pKa 9.9 in water) result-ing in a better proton donor than water is the simplest pro-totype of an aromatic acid. Hydration of phenol has beenstudied as a natural first step to understand hydrogen bondwhich represents solute-solvent interaction in aqueoussolutions of organic acids. For this reason the interactionbetween phenol and water is the subject of severalexperimental

Hydrogen Bonding Dynamics of Phenol-(H2O)2Cluster in the Electronic Excited State: a DFT/TDDFT Study

Hydrogen Bonding Dynamics of Phenol-(H₂O)₂Cluster in the Electronic Excited State: a DFT/TDDFT Study