Shenyang
China
Liaoning University
excited-state intramolecular proton transfer,density functional theory,time-dependent density functional theory
excited state intramolecular proton transfer, BTC-NH2, hydrogen bond
SiC2 molecules, 4H-SiC, adsorption energy, Density functional theory
Coal mud particles, Hydrated cations, Kaolinite, Density functional theory