Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional. - Sorbonne Université
Journal Articles Journal of Materials Chemistry Year : 2010

Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional.

Raffaella Demichelis
  • Function : Author
Department of Chemistry
Yves Noel
Institut des Sciences de la Terre de Paris
CV
Philippe d'Arco
Institut des Sciences de la Terre de Paris
L. Maschio
  • Function : Author
R. Orlando
  • Function : Author
R. Dovesi
  • Function : Author
Dipartimento di Chimica IFM e NIS-Centre of excellence

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Mineralogy

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https://hal.sorbonne-universite.fr/hal-00687894

Submitted on : Sunday, April 15, 2012-10:32:29 PM

Last modification on : Friday, November 8, 2024-9:39:16 PM

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hal-00687894 , version 1 (15-04-2012)

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  • HAL Id : hal-00687894 , version 1

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Raffaella Demichelis, Yves Noel, Philippe d'Arco, L. Maschio, R. Orlando, et al.. Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional.. Journal of Materials Chemistry, 2010, 20, pp.10417-10425. ⟨hal-00687894⟩

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