Critical analysis of the through-space transmission of NMR JFH spin-spin coupling constants

NMR JFH coupling constants transmitted through space are known to show several unusual peculiarities. The main three are (a) in many cases their experimental values are reported to be positive and in others, negative; (b) theoretical values show that in some cases they are substantially contributed...

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Veröffentlicht in:	International journal of quantum chemistry 2012-10, Vol.112 (19), p.3158-3163
Hauptverfasser:	Contreras, Rubén H., Ducati, Lucas C., Tormena, Cláudio F.
Format:	Artikel
Sprache:	eng
Schlagworte:	1hJFH Fermi hole hydrogen bond proximity effect through-space transmission
Online-Zugang:	Volltext
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