On the nature of the bonding in Cu2—an ab initio viewpoint
- 15 March 1983
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (6), 3347-3348
- https://doi.org/10.1063/1.445208
Abstract
Calculations are performed on Cu2 using the basis functions from Ref. 1. As a result of present calculations, there is evidence for the existence of both a single bond and a triple bond( from Pauling’s semi‐classical results). (AIP)Keywords
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