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Article Dans Une Revue Journal of Physical Chemistry A Année : 2007

Description of Carbo-oxocarbons and Assessment of Exchange-Correlation Functionals for the DFT Description of Carbo-mers

Christine Lepetit
Henry Chermette
Mickaël Gicquel
  • Fonction : Auteur
Rémi Chauvin

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hal-00975819 , version 1 (09-04-2014)

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Christine Lepetit, Henry Chermette, Mickaël Gicquel, Jean-Louis Heully, Rémi Chauvin. Description of Carbo-oxocarbons and Assessment of Exchange-Correlation Functionals for the DFT Description of Carbo-mers. Journal of Physical Chemistry A, 2007, 111 (11), pp.136-149. ⟨10.1021/jp064066d⟩. ⟨hal-00975819⟩
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