机译:A computational investigation on the molecular structure, electronic properties and intramolecular hydrogen bonding interaction of 1,1,1-trifluoro-4-mercaptobut-3-ene-2-thione in ground and electronic excited state
Chemistry Department, Payame Noor University, Mashad, Iran;
Chemistry Department, University of Birjand, Birjand, Iran;
1,1,1-trifiuoro-4-mercapto-but-3-ene-2-thione; density functional theory (DFT); TD-DFT; AIM; resonance parameters;