Comparison between PBE-D3, B3LYP, B3LYP-D3 and MP2 Methods for quantum mechanical calculations of polarizability and IR-NMR spectra in C24 isomers, including a novel isomer with D2d symmetry
Alhanzal, Futtaim, Joudieh, Nabil, Hussein, Khansaa, Chamoun, Nidal
Published in Nano-Structures & Nano-Objects (01.10.2023)
Published in Nano-Structures & Nano-Objects (01.10.2023)
Get full text
Journal Article