Show simple item record

dc.contributor.authorPáez-Hernández D.
dc.contributor.authorMuñoz-Castro A.
dc.contributor.authorArratia-Perez R.
dc.date.accessioned2020-09-02T22:26:00Z
dc.date.available2020-09-02T22:26:00Z
dc.date.issued2017
dc.identifier10.1016/j.cplett.2017.03.074
dc.identifier.citation683, , 421-424
dc.identifier.issn00092614
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5863
dc.descriptionThe electronic structure and bonding nature of a series of intermetallic gold-lanthanide [Au2Ln] molecules, where Ln = Eu, Yb, Lu is predicted via the DFT and CASSCF/CASPT2 calculations. The 2c-2e bond model shows a good description of the intermetallic bonding which have a large covalent component with important contribution from bonding interaction between the 6s-Au and the 6s-Ln shell of orbitals. © 2017 Elsevier B.V.
dc.language.isoen
dc.publisherElsevier B.V.
dc.titleBonding in gold-rare earth [Au2M] (M = Eu, Yb, Lu) ions. A strong covalent gold-lanthanide bond
dc.typeArticle


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record