Multiple Intramolecular Hydrogen Bonding in Large Biomolecules: DFT Calculations and Deuterium Isotope Effects on ¹³C Chemical Shifts as a Tool in Structural Studies

Large biomolecules often have multiple intramolecular hydrogen bonds. In the cases where these interact, it requires special tools to disentangle the patterns. Such a tool could be deuterium isotope effects on chemical shifts. The use of theoretical calculations is an indispensable tool in such stud...

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Κύριοι συγγραφείς:	Poul Erik Hansen, Fadhil S. Kamounah
Μορφή:	Artigo
Γλώσσα:	Inglês
Έκδοση:	MDPI AG 2023-05-01
Σειρά:	Chemistry
Θέματα:	density functional calculations deuterium isotope effects on chemical shifts large biomolecules intramolecular hydrogen bonding
Διαθέσιμο Online:	https://www.mdpi.com/2624-8549/5/2/89
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