Relativistic Density Functional NMR Tensors Analyzed with Spin-free Localized Molecular Orbitals

Alberto Fernández-Alarcón; Jochen Autschbach

doi:10.1002/cphc.202200891

Relativistic Density Functional NMR Tensors Analyzed with Spin-free Localized Molecular Orbitals

Chemphyschem. 2023 Jan 3;24(1):e202200891. doi: 10.1002/cphc.202200891.

Authors

Alberto Fernández-Alarcón¹, Jochen Autschbach¹

Affiliation

¹ Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA.

PMID: 36594715
DOI: 10.1002/cphc.202200891

Abstract

The front cover artwork is provided by Dr. Alberto Fernández-Alarcón. The image symbolizes the interactions of a molecule, via its orbitals, with an electromagnetic field, to produce the spectroscopic signals observed in NMR. Read the full text of the Concept at 10.1002/cphc.202200667.

MeSH terms

Magnetic Resonance Imaging*