Comparing Homonuclear and Heteronuclear Diatomic Molecules with WebMO
Students first learn the basics of WebMO by building and optimizing 2 small molecules. They then calculate and visualize the molecular orbitals of two diatomic molecules (N2 and BF) and observe how going from a homonuclear to heteronuclear molecule changes the shape of different molecular orbitals.
As written this activity uses the WebMO demo server so no computational chemistry software/licences are required.