The Vibrational Spectrum of α-AlOOH Diaspore: An Ab Initio Study with the CRYSTAL Code-Reference-Cited by-同舟云学术

The Vibrational Spectrum of α-AlOOH Diaspore: An Ab Initio Study with the CRYSTAL Code

Published:2007-07-13 Issue:31 Volume:111 Page:9337-9346
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Demichelis R.¹,Noel Y.¹,Civalleri B.¹,Roetti C.¹,Ferrero M.¹,Dovesi R.¹

Affiliation:

1. Dipartimento di Chimica IFM, Università di Torino, Via P. Giuria 7, 10125 Torino, Italy, Université Pierre et Marie CurieParis6, UMR 7160, Lab. PMMP, Paris 75005, France, and Dipartimento di Chimica IFM, Università di Torino and NIS (Nanostructured Interfaces and Surfaces, Centre of Excellence, ), Via P. Giuria 7, 10125 Torino, Italy

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp072501d

Reference42 articles.

1. An ab Initio Study of the Structure and Properties of Aluminum Hydroxide: Gibbsite and Bayerite

2. Structure and Stability of Aluminum Hydroxides: A Theoretical Study

3. New atomic scale simulation models for hydroxides and oxyhydroxides

4. The crystal chemistry of doyleite, Al(OH)3

5. Raman and i.r. spectra and structure of boehmite (γ-AlOOH). Evidence for the recently discarded D172h space group

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