Density functional study of mononitrosyls of first-row transition-metal atoms

The mononitrosyls of the transition metals of the third row of the periodic table were calculated by means of the density functional theory. The geometries and frequencies of the MNO complexes in different states are reported. A bent geometry is found for the systems with higher multiplicities from...

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Veröffentlicht in:	The Journal of chemical physics 1997-06, Vol.106 (21), p.8778-8787
Hauptverfasser:	Blanchet, Catherine, Duarte, Hélio A., Salahub, Dennis R.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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