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

Christine Lepetit 1 Henry Chermette Mickaël Gicquel Jean-Louis Heully 2 Remi Chauvin 1
1 LCC - Laboratoire de chimie de coordination
2 Chimie des éléments d & f (LCPQ)
LCPQ - Laboratoire de Chimie et Physique Quantiques
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https://hal.archives-ouvertes.fr/hal-00975819
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Submitted on : Wednesday, April 9, 2014 - 11:05:02 AM
Last modification on : Friday, January 10, 2020 - 9:10:16 PM

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

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