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Calculation of IR frequencies and intensities in electrical and mechanical anharmonicity approximations: application

D Bégué1, I Baraille, P A Garrain

  • 1Institut Pluridisciplinaire de Recherche sur l'Environnement et les Matériaux (IPREM), UMR 5254 CNRS-Equipe de Chimie Physique, Université de Pau et des Pays de l'Adour, 2 Avenue du Président Angot, 64053 Pau Cedex 9, France. didier.begue@univ.pau.fr

The Journal of Chemical Physics
|July 24, 2010
PubMed

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