The vibrational spectrum of alpha-A1OOH Diaspore : An Ab Initio Study with the CRYSTAL Code

Raffaella Demichelis; Yves Noel; B. Civalleri; C. Roetti; M. Ferrero; Roberto Dovesi

Journal Articles Journal of Physical Chemistry B Year : 2007

The vibrational spectrum of alpha-A1OOH Diaspore : An Ab Initio Study with the CRYSTAL Code

(1) , (2, 3) , (4) , (5) , (5) , (6)

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Raffaella Demichelis

Function : Author

Dipartimento di Chimica IFM and NIS

Yves Noel

Function : Author
PersonId : 12222
IdHAL : yvesnoel
IdRef : 06951979X

Institut des Sciences de la Terre de Paris

Laboratoire PMMP

CV

B. Civalleri

Function : Author

Dipartimento di Chimica IFM and NIS Centre of Excellence

C. Roetti

Function : Author

Nanostructured Interfaces and Surfaces, centre of excellence

M. Ferrero

Function : Author

Nanostructured Interfaces and Surfaces, centre of excellence

Roberto Dovesi

Function : Author
PersonId : 765114
ORCID : 0000-0002-9821-9128

Dipartimento di Chimica and Centre of Excellence NIS

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https://hal.sorbonne-universite.fr/hal-00692458

Submitted on : Monday, April 30, 2012-3:16:13 PM

Last modification on : Tuesday, November 14, 2023-4:42:05 PM

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hal-00692458 , version 1 (30-04-2012)

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HAL Id : hal-00692458 , version 1

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Raffaella Demichelis, Yves Noel, B. Civalleri, C. Roetti, M. Ferrero, et al.. The vibrational spectrum of alpha-A1OOH Diaspore : An Ab Initio Study with the CRYSTAL Code. Journal of Physical Chemistry B, 2007, 111, pp.9337-9346. ⟨hal-00692458⟩

The vibrational spectrum of alpha-A1OOH Diaspore : An Ab Initio Study with the CRYSTAL Code

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