Searching for the Best Values of NMR Shielding and Spin-Spin Coupling Parameters: CH<sub>4-n</sub>F<sub>n</sub> Series of Molecules as the Example

Searching for the Best Values of NMR Shielding and Spin-Spin Coupling Parameters: CH<sub>4-n</sub>F<sub>n</sub> Series of Molecules as the Example

Attempts at the theoretical interpretation of NMR spectra have a very long and fascinating history. Present quantum chemical calculations of shielding and indirect spin-spin couplings permit modeling NMR spectra when small, isolated molecules are studied. Similar data are also available from NMR exp...

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Bibliographic Details
Main Authors: Karol Jackowski, Mateusz A. Słowiński
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:Molecules
Subjects:
NMR spectroscopy
fluoromethanes
nuclear magnetic shielding
spin-spin coupling
Online Access:https://www.mdpi.com/1420-3049/28/3/1499

Internet

https://www.mdpi.com/1420-3049/28/3/1499

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