Physico-Chemical Features of Aluminum Hydroxides As Modeled with the Hybrid B3LYP Functional and Localized Basis Functions

Author:

Demichelis Raffaella1,Noël Yves2,Ugliengo Piero3,Zicovich-Wilson Claudio M.4,Dovesi Roberto3

Affiliation:

1. Nanochemistry Research Institute, Department of Chemistry, Curtin University, GPO Box U1987, Perth, WA 6845, Australia

2. Institut des Sciences de la Terre de Paris (UMR 7193 UPMC−CNRS), UPMC - Paris Universitas, France

3. Dipartimento di Chimica IFM, Università di Torino and NIS -Nanostructured Interfaces and Surfaces - Centre of Excellence, Via P. Giuria 7, 10125 Torino, Italy

4. Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, Col. Chamilpa, 62209 Cuernavaca, Morelos, Mexico

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

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