Combined DFT Protocol for the Calculation of One-Bond ³¹P-³¹P Indirect Nuclear Spin–Spin Couplings

The comparative analysis of calculated and experimental one-bond ³¹P-³¹P indirect nuclear spin–spin couplings for a wide range of structures, including P-P bonds, has shown that, on the whole, it is possible to estimate ¹<i>J</i>_PP fairly accurately using...

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Bibliographic Details

Main Authors:	Svetlana A. Kondrashova, Shamil K. Latypov
Format:	Artigo
Language:	Inglês
Published:	MDPI AG 2026-05-01
Series:	Molecules
Subjects:	NMR parameters indirect nuclear spin–spin couplings density functional theory organophosphorus compounds
Online Access:	https://www.mdpi.com/1420-3049/31/11/1831
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