Ab initio calculations on first row transition metal hydrides TMHn+ and helides TMHe(n+1)+ (TM = Sc–Cu, n = 0–2)
Abstract
Ab initio metods have been employed to investigate first row transition metal
* Corresponding authors
a
Discipline of Chemistry, School of Environmental and Life Sciences, University of Newcastle, Callaghan, NSW, Australia
E-mail:
ellak@newcastle.edu.au
Fax: +61 2 4921 6923
Tel: +61 2 4921 5482
b Laboratoire de Physique Quantique, IRSAMC, UMR 5626-CNRS, Université Paul Sabatier, 118, route de Narbonne, Toulouse Cedex, France
Ab initio metods have been employed to investigate first row transition metal
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