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Theoretical insights into the ultrafast excited-state intramolecular proton transfer (ESIPT) mechanism in a series of amide-based N H⋯N hydrogen-bonding compounds

Electronic Excited StateExcited State PropertyEngineeringNatural SciencesProton-coupled Electron TransferProton TransferHydrogen BondComputational ChemistryHydrogenQuantum ChemistryChemistryTheoretical InsightsBiophysics