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High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6: an ab initio embedded cluster study

Author
Seijo, Luis; Barandiarán, Zoila
Publisher
American Institute of Physics
Date
2003
Citation
10.1063/1.1531659
Journal of Chemical Physics 118.4 (2003): 1921
 
 
 
ISSN
0021-9606
DOI
10.1063/1.1531659
Editor's Version
http://dx.doi.org/10.1063/1.1531659
Subjects
Química Física
URI
http://hdl.handle.net/10486/6950
Rights
Copyright (2003) 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 (Seijo, L. and Z. Barandiarán. "High pressure effects on the structure and spectroscopy of V3+ substitutional defects in Cs2NaYCl6. An ab initio embedded cluster study." Journal of Chemical Physics 118.4 (2003): 1921) and may be found at http://jcp.aip.org/resource/1/jcpsa6/v118/i4/p1921_s1
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This item appears in the following Collection(s)

  • Producción científica en acceso abierto de la UAM [14677]

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    Seijo, Luis; Barandiarán, Zoila
    2003
  • Ab initio model potential embedded-cluster study of the ground and lowest excited states of Cr3+ defects in the elpasolites Cs2NaYCl6 and Cs2NaYBr6 

    Al-Abdalla, Abdalla; Barandiarán, Zoila; Seijo, Luis
    1998
  • Structure and spectroscopy of Pa4+ defects in Cs2ZrCl6: an ab initio theoretical study 

    Seijo, Luis; Barandiarán, Zoila
    2001
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