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.

P741: Electronic structure: Fun for all ages!

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

Co-Author:

Date: 8/6/14

Time: 11:50 AM12:10 PM

Room: LMH 176

Related Symposium: S55

Computational chemistry has become ubiquitous in chemical research, and it is imperative that it be integrated throughout chemical education. With modern computational resources, computational chemistry is accessible at all levels of chemical education. At Ohio Northern University (ONU) computational chemistry is utilized during all four years of the undergraduate chemistry major, and we encourage high school teachers to use computational tools as well. Through our ECLIPSE (Enhanced Chemistry Learning through Instrument-access and Personalized Secondary Educator) training program, high school teachers are exposed to computational tools that can be used to reinforce VSEPR ideas in their courses. Undergraduate students at ONU complete electronic structure projects during introductory, organic, physical, inorganic and advanced physical chemistry courses; these projects will be described and discussed.