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Ab initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts

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Ab initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts

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Title: Ab initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts
Author: Pascual, José Luis; Seijo, Luis; Barandiarán, Zoila
UAM Author: Barandiarán Piedra, Zoila ; Pascual Robledo, José Luis ; Seijo Loche, Luis Ignacio
Publisher: American Institute of Physics
Date: 1993
Citation: Journal of Chemical Physics 98.12 (1993): 9715-9724
ISSN: 0021-9606
DOI: 10.1063/1.464350
Editor's Version: http://dx.doi.org/10.1063/1.464350
Subjects: Química cuántica; Cristalografía; Química
URI: http://hdl.handle.net/10486/7291
Rights: Copyright (1993) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article prepared in (Pascual, J.L.; Sejo, K. and Z. Barandiaran. "Ab initio model potential study of environmental effects on the Jahn–Teller parameters of Cu2+ and Ag2+ impurities in MgO, CaO, and SrO hosts." Journal of Chemical Physics 98.12 (1993): 9715-9724) and may be found at http://jcp.aip.org/resource/1/jcpsa6/v98/i12/p9715_s1

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G o o g l e ™ Scholar: Pascual, José Luis - Seijo, Luis - Barandiarán, Zoila

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