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

Fuente: arXiv

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Bibliographic Details
Main Authors:	Alhanzal, Futtaim, Joudieh, Nabil, Hussein, Khansaa, Chamoun, Nidal
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics Mesoscale and Nanoscale Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2503.14737