A guide to using Mathematica
for physical chemistry which can be used as a complement to any physical chemistry text. Discusses the kinds of problems encountered in each area of the field together with worked examples. The accompanying CD-ROM includes over 150 Mathematica
programs that allow students to perform vital calculations based on integrating systems of differential equations, solving systems of nondifferential equations, data fitting, two-dimensional plotting, contour drawing, matrix manipulations, fourier transformations, and simulations.
Preliminaries | Chemical Thermodynamics in Theory | Chemical Thermodynamics in Use | Quantum Theory | Spectroscopy | Solids, Liquids and Surfaces | Macromolecules | Statistical Thermodynamics | Physical Kinetics | Chemical Kinetics in Use | Chemical Kinetics in Theory | Appendices