ABSTRACT

Many of the chemical problems I chose are textbook examples. I do this for two reasons. One is to ensure that the chemical problem to be addressed will be familiar to you so you can focus on how to address it with molecular modeling. The other reason is to illustrate how molecular modeling can be used in teaching. If you are a teacher you can use molecular modeling to help visualize the concepts (or hand-drawn sketches on the blackboard) so that you are not tied to the illustrations in the textbook you use. If you are a student, you can really gain molecular-level insight into many abstract chemical concepts by designing a set of calculations to compute some related quantity (for example, a melting temperature). I have learned a lot from the calculations I am about to describe. I hope you will, too.