Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment

Lucy Cusinato, Iker del Rosal, Romuald Poteau
2017 Dalton Transactions  
An integrated package that uses structural, first principles and thermodynamic approaches is expected to play a significant role in advancing our knowledge of nanocatalysts.
doi:10.1039/c6dt04207d pmid:27934982 fatcat:opexkwnlhzdilaffk3n4eytlt4