At an early stage of learning quantum chemistry, undergraduate students usually encounter the concepts of the particle in a box, the harmonic oscillator, and then the particle on a sphere. Rotational levels of a diatomic molecule can be well approximated by the energy levels of the particle on a sphere. Wave functions for the particle in a…

Explores graph theory and use of topological indices to predict boiling points. Lists three indices: Wiener Number, Randic Branching Index and Molecular Connectivity, and Molecular Identification numbers. Warns of inadequacies with stereochemistry. (ML)

Discusses the use of graph theory to aid in the depiction of organic molecular structures. Gives a historical perspective of graph theory and explains graph theory terminology with organic examples. Lists applications of graph theory to current research projects. (ML)

Describes a computer program that plots a solid" representation of molecular orbital charge density which can be used to analyze wave functions of molecules. Illustrated with diagrams for formaldehyde. (AL)

Phase changes and intermolecular forces are important physical science concepts but are not always easy to present in an active learning format. This article presents several interactive activities in which students plot the melting points of some fatty acids and explore the effect that the nanoscale size and shape of molecules have on the…

The kinetics experiments on the ligand-C[subscript 60] exchange reactions on (dihapto-[60]fullerene) pentacarbonyl tungsten(0), ([eta][superscript 2]-C[subscript 60])W(CO)[subscript 5], form an educational activity for the inorganic chemistry laboratory that promotes graphical thinking as well as the understanding of kinetics, mechanisms, and the…

Investigates ground state electron configurations for some common elements using graphical methods. Bases observed tendencies on following ideas: "occupancy of differing shells, occupancy of differing subshells within a given shell, double occupancy vs. single occupancy of an orbital, and quantum-mechanical exchange." (ML)