All Stories

  1. Evaluations of the accuracies of DMol3 density functionals for calculations of experimental binding enthalpies of N2, CO, H2, C2H2 at catalytic metal sites

    Article • Molecular Simulation, December 2017, Taylor & Francis

    Professor Ian G Dance

  2. Unexpected explanation for the enigmatic acid-catalysed reactivity of [Fe4S4X4]2− clusters

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    Professor Ian G Dance

  3. Large structural changes upon protonation of Fe4S4 clusters: the consequences for reactivity

    Article • Dalton Transactions, January 2014, Royal Society of Chemistry

    Professor Ian G Dance