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Automatic generation of potential energy and property surfaces of polyatomic molecules in normal coordinates

D Toffoli1, J Kongsted, O Christiansen

  • 1The Lundbeck Foundation Center for Theoretical Chemistry, Department of Chemistry, University of Aarhus, Langelandsgade 140, DK-8000 Aarhus C, Denmark. toffoli@chem.au.dk

The Journal of Chemical Physics
|December 7, 2007
PubMed

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