The Synergy between Nuclear Magnetic Resonance and Density Functional Theory Calculations

The Synergy between Nuclear Magnetic Resonance and Density Functional Theory Calculations

This paper deals with the synergy between Nuclear Magnetic Resonance (NMR) spectroscopic investigations and DFT calculations, mainly of NMR parameters. Both the liquid and the solid states are discussed here. This text is a mix of published results supplemented with new findings. This paper deals wi...

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Bibliographic Details
Main Author: Poul Erik Hansen
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Molecules
Subjects:
DFT calculations
tautomerism
hydrogen bonding
isotope effects
natural products
Online Access:https://www.mdpi.com/1420-3049/29/2/336

Internet

https://www.mdpi.com/1420-3049/29/2/336

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