Semiconducting Oligomers of 1,4-dimethoxybenzene, Thiophene and Thiazole: A Theoretical Study
Sawadogo René, Diendéré Françoise, Guiguemdé Issaka, Ouédraogo Raguilnaba & Sotiropoulos Jean-Marc · Chemical Science International Journal · 2016
Organic semiconducting oligomers containing three to nine heterocyclic units and based on 1,4-dimethoxybenzene, thiophene and thiazole have been studied by DFT and TDDFT at the B3LYP/6-31G(d,p) level. The energy of each molecule, those of the frontier orbitals HOMO and LUMO, the...
Open access
Research Article
10.9734/ACSJ/2016/29235