95Mo nuclear magnetic resonance parameters of molybdenum hexacarbonyl from density functional theory: appraisal of computational and geometrical parameters

Jérôme Cuny, Kateryna Sykina, Bruno Fontaine, Laurent Le Pollès, Chris J. Pickard, Régis Gautier
  • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c1cp22289a