The Structure of the “Vibration Hole” around an Isotopic Substitution—Implications for the Calculation of Nuclear Magnetic Resonance (NMR) Isotopic Shifts

Calculations of nuclear magnetic resonance (NMR) isotopic shifts often rest on the unverified assumption that the “vibration hole”, that is, the change of the vibration motif upon an isotopic substitution, is strongly localized around the substitution site. Using our recently developed difference-de...

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Detalles Bibliográficos
Autor principal: Gräfenstein, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7355873/
https://www.ncbi.nlm.nih.gov/pubmed/32599937
http://dx.doi.org/10.3390/molecules25122915

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7355873/
https://www.ncbi.nlm.nih.gov/pubmed/32599937
http://dx.doi.org/10.3390/molecules25122915

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