Tetrathiafulvalene () is an organosulfur compound used in the production of molecular devices such as switches, sensors, nonlinear optical devices and rectifiers. In this work, a theoretical study on the effects of solvent on TTF molecule was investigated and reported based on De...
Open access
Research Article10.9734/ajr2p/2021/v5i230162
Perylene (C20 H12) is polycyclic aromatic hydrocarbons (PAHs) used in the production of organic field- effect transistors, organic photovoltaic cells, and biosensors. In this work, the molecular geometry, HOMO-LUMO energy gap, global indices, thermodynamic properties, non-linear...
Tetrathiafulvalene (C6H4S4) is an organosulfur compound used in the manufacture of organic optoelectronic materials. Restricted Hartree-Fock (RHF) and Density Functional Theory (DFT) were employed for the study of the optimized molecular structure of TTF using different basis set...
Open access
Research Article10.9734/jenrr/2022/v10i430262
Porphyrin is an organic macrocycle compound, with a chemical formular (C20H14N4) it act as important components in various technological application like solar cell, due to their flexibility and low production cost. In this work, DFT and TD-DFT were used to investigate the molecu...
Open access
Research Article10.9734/jenrr/2023/v14i2282