DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters

Search results

• Finished

  TOUCAN: Towards an Understanding of Catalysis on Nanialloys

  Johnston, R.

  Engineering & Physical Science Research Council

  1/09/12 → 31/05/18

  Project: Research Councils

  • Molecular Cluster 100%
  • Density Functional Theory 80%
  • Global optimization 79%
  • iridium 70%
  • genetic algorithms 70%