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...

Popoln opis

Bibliografske podrobnosti

Principais autores:	Svetlana A. Kondrashova, Shamil K. Latypov
Format:	Artigo
Jezik:	Inglês
Izdano:	MDPI AG 2026-05-01
Serija:	Molecules
Teme:	NMR parameters indirect nuclear spin–spin couplings density functional theory organophosphorus compounds
Online dostop:	https://www.mdpi.com/1420-3049/31/11/1831
Oznake:	Označite Brez oznak, prvi označite!