A Web site is described that facilitates use of the free computational chemistry software: General Atomic and Molecular Electronic Structure System (GAMESS). Its goal is to provide an opportunity for undergraduate students to perform computational chemistry experiments without the need to purchase expensive software.

We propose an in silico experiment to introduce the classical density functional theory (cDFT). Density functional theories, whether quantum or classical, rely on abstract concepts that are nonintuitive; however, they are at the heart of powerful tools and active fields of research in both physics and chemistry. They led to the 1998 Nobel Prize in…

Provides a series of short articles about various uses of computers and courseware in teaching chemistry. Addresses topics such as a programming utility for animation, an organic synthesis program, a program for the allocation of organic qualitative analysis of unknowns, color images of molecules, and enhancing spreadsheet capabilities. (TW)