Year-2008 nuclear quadrupole moments

Year-2008 nuclear quadrupole moments
Pekka Pyykko
To cite this version:
Pekka Pyykko. Year-2008 nuclear quadrupole moments. Molecular Physics, Taylor & Francis,
2008, 106 (16-18), pp.1965-1974. .
HAL Id: hal-00513184
https://hal.archives-ouvertes.fr/hal-00513184
Submitted on 1 Sep 2010
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Molecular Physics
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Year-2008 nuclear quadrupole moments
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Journal:
Molecular Physics
Manuscript ID:
TMPH-2008-0015
Date Submitted by the
Author:
Pyykko, Pekka; University of Helsinki, Department of Chemistry
Nuclear quadrupole moments, Nuclear structure, Hyperfine, NMR,
NQR
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Keywords:
24-Jan-2008
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Complete List of Authors:
Invited Article
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Manuscript Type:
On
Note: The following files were submitted by the author for peer review, but cannot be converted
to PDF. You must view these files (e.g. movies) online.
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Q2008.tex
Q2008.bbl
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