Theoretical investigations of the IR spectroscopy of Ni(C2S2H2)2. A case study of the P_VMWCI2 algorithm including anharmonic effects

Didier Bégué, Pierre Labéguerie, Daisy Y. Zhang-Negrerie, Aggelos Avramopoulos, Luis Serrano-Andrés, Manthos G. Papadopoulos
  • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry
  • DOI: 10.1039/c0cp00760a