Exploring the effect of aggregation-induced emission on the excited state intramolecular proton transfer for a bis-imine derivative by quantum mechanics and our own n-layered integrated molecular orbital and molecular mechanics calculations
Zhao Huifang, Sun Chaofan, Liu Xiaochun, Yin Hang †, Shi Ying ‡
       

Calculated potential energy curves along the proton transfer coordinate (O1–H2) of HNP in different electronic states.