All Stories

  1. The bonding picture in hypervalent XF3 (X = Cl, Br, I, At) fluorides revisited with quantum chemical topology

    Article • Journal of Computational Chemistry, August 2017, Wiley

    Dr Nicolas Galland, Dr. Dumitru-Claudiu Sergentu

  2. Scrutinizing “Invisible” astatine: A challenge for modern density functionals

    Article • Journal of Computational Chemistry, April 2016, Wiley

    Dr Nicolas Galland, Dr. Dumitru-Claudiu Sergentu