Theoretical investigation on the excited state intramolecular proton transfer in Me2N substituted flavonoid by the time-dependent density functional theory method*

Project supported by the National Basic Research Program of China (Grant No. 2013CB922204), the National Natural Science Foundation of China (Grant Nos. 11574115 and 11704146), and the Natural Science Foundation of Jilin Province, China (Grant No. 20150101063JC).

Yin Hang1, 2, Shi Ying1, †
       

(color online) Calculated sum of electronic and thermal free energies of transition state in ESIPT process for MNF at different temperatures.