Infrared Spectra of Hydrogen-Bonded Ionic Crystals: Ab Initio Study of Mg(OH)2 and β-Be(OH)2-Reference-Cited by-同舟云学术

Infrared Spectra of Hydrogen-Bonded Ionic Crystals: Ab Initio Study of Mg(OH)2 and β-Be(OH)2

Published:2004-08-12 Issue:36 Volume:108 Page:13632-13637
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Ugliengo Piero¹,Pascale Fabien¹,Mérawa Mohammadou¹,Labéguerie Pierre¹,Tosoni Sergio¹,Dovesi Roberto¹

Affiliation:

1. Dipartimento di Chimica IFM, Università di Torino, Via P. Giuria, 7. 10125 Torino, Italy, Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques (LCM3B) UMR−CNRS 7036, Université Henri Poincaré Nancy I BP 239, Boulevard des Aiguillettes F54506 Vandoeuvre-les-Nancy Cedex, France, and Laboratoire de Chimie Théorique et de Physico-Chimie Moléculaire, UMR 5624, FR ‘IPREM' 2606, IFR−rue Jules Ferry, F-64000 Pau, France

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/jp047514v

Reference34 articles.

1. Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

2. Erratum: Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

3. Accurate and simple analytic representation of the electron-gas correlation energy

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