Abstract:

In my talk I shall review theoretical chemistry models applied for predicting properties of systems containing superheavy elements (SHEs). These are periodic density functional (DF) methods with inclusion of relativistic effects for calculating adsorption properties. Molecular DF and ab-initio methods serve for predicting molecular properties. Obtained theoretical results shall be compared with available experimental data. Likewise I shall point to new challenges in the field of SHEs that the computational chemistry can also tackle.