P844: Water in the computer lab! (A computational project for undergraduate inorganic chemistry)

Author: Bradley M. Wile, Ohio Northern University, USA

Co-Author: Trilisa M. Perrine, Ohio Northern University, USA

Date: 8/6/14

Time: 2:25 PM2:45 PM

Room: LMH 176

Related Symposium: S55

This presentation will describe a computational project in the second semester inorganic chemistry course at Ohio Northern University. Students were asked to conduct a simple calculation on water, as well as on a lone oxygen atom and a set of H2 ligand group orbitals (LGOs). Using their data, students are asked to generate pictures of their calculated orbitals, and prepare a molecular orbital (MO) diagram with appropriate orbital spacing. Connections to the inorganic curriculum and computational methods will be discussed.