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An adaptive potential energy surface generation method using curvilinear valence coordinates

F Richter1, P Carbonniere, A Dargelos

  • 1Institut Pluridisciplinaire de Recherche en Environment et Matériaux, Equipe de Chimie Physique, Groupe de Chimie Théorique et Réactivité, Pau F-64000, France. falk.richter@univ-pau.fr

The Journal of Chemical Physics
|June 21, 2012
PubMed

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