DFT and TD-DFT studies of new pentacene-based organic molecules as a donor material for bulk-heterojunction solar cells
Theoretical investigation of the adsorption behaviors of fluorouracil as an anticancer drug on pristine and B-, Al-, Ga-doped C36 nanotube
Electronic Transport and Non-linear Optical Properties of Hexathiopentacene (HTP) Nanorings A DFT Study
A comprehensive study on electronic structure and optical properties of carbon nanotubes with doped B, Al, Ga, Si, Ge, N, P and As and different diameters
Suppression of the Shuttle Effect in Li–S Batteries via Magnetron Sputtered TiO2 Thin Film at the Electrode–Electrolyte Interface
Mechanical properties of CdZnTe nanowires under uniaxial stretching and compression