38376-47-5Relevant academic research and scientific papers
In silico investigation applied in physical, chemical properties and vibrational analysis of 1.3.4-thiadiazole derivatives
AOUMEUR, Nabila,TCHOUAR, Noureddine,BELAIDI, Salah,HARKATI, Dalal,BELAIDI, Houmam,ROUANE, Abderrahmane
, p. 935 - 948 (2021/02/05)
The equilibrium geometries of 1,3,4-thiadiazole derivatives have been determined and analyzed at DFT level employing B3LYP/6-31G(d) basis set. The molecular electrostatic potential surface (MESP) that reveals centers of reactivity of the molecule and subs
In silico investigation applied in physical, chemical properties and vibrational analysis of 1.3.4-thiadiazole derivatives
Aoumeur, Nabila,Belaidi, Houmam,Belaidi, Salah,Harkati, Dalal,Rouane, Abderrahmane,Tchouar, Noureddine
, p. 935 - 948 (2020/06/27)
The equilibrium geometries of 1,3,4-thiadiazole derivatives have been determined and analyzed at DFT level employing B3LYP/6-31G(d) basis set. The molecular electrostatic potential surface (MESP) that reveals centers of reactivity of the molecule and subs
