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

Saved in:
Bibliographic Details
Published inNano-Structures & Nano-Objects Vol. 36; p. 101036
Main Authors Alhanzal, Futtaim, Joudieh, Nabil, Hussein, Khansaa, Chamoun, Nidal
Format Journal Article
LanguageEnglish
Published 01.10.2023
Online AccessGet full text

Cover

More Information
ISSN:2352-507X
DOI:10.1016/j.nanoso.2023.101036