The solvent effect on two competing reaction mechanisms involving hypervalent iodine reagents (λ3-iodanes): Facing the limit of the stationary quantum chemical approach. - Oliver Sala; Hans Peter Lüthi; Antonio Togni (J. Comput. Chem., 2014)

Dividing a complex reaction involving a hypervalent iodine reagent into three limiting mechanisms by ab initio molecular dynamics. - Oliver Sala; Hans Peter Lüthi; Antonio Togni; Marcella Iannuzzi; Jürg Hutter (J. Comput. Chem., 2015)