Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M = Cu, Ag, Au)

Michiko Atsumi, Roland Lindh, Leticia González, Christophe Gourlaouen, Chantal Daniel
  • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry
  • DOI: 10.1039/c3cp51150b
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