Theoretical Actinide Chemistry – a quantum chemical approach.

by Ulf Wahlgren

Friday 23 Jan 2009, 13:15 → 14:15 Europe/Stockholm

122:026

Basic quantum chemical tools used in inorganic actinide chemistry will be reviewed. This comprises the first order relativistic operators, the Douglas-Kroll transformation and the implementation of the spin-orbit operators. Applications to reactions involving uranyl in solution will be described.