Density functional theory investigation of the physical properties of dicyano pyridazine molecules
Adsorption of gas molecules on graphene nanoflakes and its implication as a gas nanosensor by DFT investigations
Influence of oxygen impurities on the electronic properties of graphene nanoflakes
Energy bandgap engineering of graphene nanoribbon by doping phosphorous impurities to create nano-heterostructures: A DFT study
Tuning the electronic properties of the fullerene C20 cage via silicon impurities
Pd doped carbon nanotubes as a drug carrier for Gemcitabine anticancer drug: DFT studies
Effects of lithium impurities on electronic and optical properties of graphene nanoflakes: A DFT-TDDFT study
Enhancement the electronic and optical properties of the graphene nanoflakes in the present S impurities
DFT investigation of graphene nanoribbon as a potential nanobiosensor for tyrosine amino acid
Theoretical investigation on the therapeutic applications of C2B and C2O as targeted drug delivery systems for hydroxyurea and 6-thioguanine in cancer treatment
