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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

A comparison of two methods for selecting vibrational configuration interaction spaces on a heptatomic system:

Didier Bégué1, Neil Gohaud, Claude Pouchan

  • 1Institut Pluridisciplinaire en Recherche sur l'Environnement et les Matériaux, UMR-5254-CNRS, Equipe de Chimie-Physique, IFR, rue Jules Ferry, BP 27540, F-64075 PAU, Cedex, France. didier.begue@univ-pau.fr

The Journal of Chemical Physics
|November 6, 2007
PubMed

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