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The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code.
Fabien Pascale
,
Claudio M. Zicovich-Wilson
,
F. López Gejo
,
Bartolomeo Civalleri
,
Roberto Orlando
, and
Roberto Dovesi
Journal of Computational Chemistry
25(6):888-897
(
2004
)
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Mar 18, 2010, 12:00 AM
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