Calculated paramagnetic properties of matrix isolated AU3 cluster

Author	dc.contributor.author	Arratia Pérez, Ramiro
Author	dc.contributor.author	Hernández Acevedo, Lucía	es_CL
Author	dc.contributor.author	Gómez Jeria, Juan	es_CL
Admission date	dc.date.accessioned	2012-10-10T14:31:49Z
Available date	dc.date.available	2012-10-10T14:31:49Z
Publication date	dc.date.issued	1995-01-30
Cita de ítem	dc.identifier.citation	Chemical Physics Letters, Vol. 236, p. 37-42, 1995	es_CL
Identifier	dc.identifier.issn	0009·2614
Identifier	dc.identifier.uri	https://repositorio.uchile.cl/handle/2250/119572
Abstract	dc.description.abstract	Non-relativistic (NR-Xa) and Dirac (DSW-Xa) spin-restricted calculations on the matrix isolated AU3 cluster are reported. It Ís shown that the resolved hyperfine interactions arising from the apical gold atom and the anisotropic effects on the spin distribution and on the paramagnetic properties could be adequately interpreted by using Dirac operators and Dirac cluster wave functions. The DSW-Xa calculations are in reasonable agreement with empirical and resolved paramagnetic resonance data of the AU3 cluster isolated on the C6D6 matrix.	es_CL
Patrocinador	dc.description.sponsorship	This work was supported by Fondecyt and the Comission of the European Communities (Contract CIl-CT93-0330CL).	es_CL
Lenguage	dc.language.iso	en	es_CL
Publisher	dc.publisher	Elsevier Science B.V.	es_CL
Título	dc.title	Calculated paramagnetic properties of matrix isolated AU3 cluster	es_CL
Document type	dc.type	Artículo de revista