Introduction
In this investigation, we will use quantum chemical simulation methods to study the electronic structure of atoms.
Using the WebMO app on your tablet, you will also learn some of the skills needed for other Chemical Simulation Toolkit investigations.
Simulate the electronic structure of krypton
Visualise and identify the s−, p−, and d−shell atomic orbitals
Calculate the ionisation energies of the Group 2 elements (Be−Sr)
Calculate the ionisation energies of the Period 3 elements (Na−Ar)
Department of Chemistry,
Lancaster University,
Lancaster,
LA1 4YB, UK
contact: a.kerridge@lancaster.ac.uk
The Chemical Simulation Toolkit 