Quantum-mechanical DFT Calculation of the Memantine Drug

Memantine is a ground-breaking innovation in managing Alzheimer's disease, as it targets NMDAreceptors to combat cognitive decline. This research investigates the optimized structural features, atomiccharges, dipole moments, electronic energies, and HOMO-LUMO gaps of Memantine through the DFT/B۳LYPmethod with a ۶-۳۱+G basis set.

کلیدواژه ها:

Memantine ، HOMO-LUMO Gap ، DFT ، B۳LYP/۶-۳۱+G