Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

Data are presented that examine and compare the most important ab initio methods developed for the calculation of NMR parameters, and their relative merits and deficiencies are discussed. One of the main advantages of the modern ab initio method is that the accuracy of the results can be determined...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Chemical reviews 1999-01, Vol.99 (1), p.293-352
Hauptverfasser:	Helgaker, Trygve, Jaszuński, Michał, Ruud, Kenneth
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical elements Chemistry Molecules NMR Nuclear magnetic resonance
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!