Effect of intramolecular and intermolecular hydrogen bonding on the ESIPT process in DEAHB molecule

Li Hui¹, Ma Lina¹, Yin Hang^{1, 2, †}, Shi Ying¹

(color online) The calculated potential energy curves of S₀ and S₁ states for DEAHB monomer by the TDDFT/B3LYP/TZVP method.