MOPAC is a general-purpose semiempirical quantum mechanics package for the study of chemical properties and reactions in gas, solution, or solid-state. MOPAC is used to directly predict numerous chemical and physical properties, such as Gibbs free energies, activation energies, reaction paths, dipole moments, non-linear optical properties, and infrared spectra. It is also used as the basis of quantitative structure-property (or activity) relationships, to predict a wide variety of biological and other properties including cardinogenicity, vapor pressure, water solubility, and reaction rates.

This premier molecular computation application features a number of widely-used, semi-empirical methods and allows you to compute properties and perform energy minimizations, optimize to transition states, and compute properties. It supports MOPAC sparkles, has an improved user interface, and provides faster calculations.

This product is a CD-ROM Edition. It will be shipped to you on a disk, along with printed copies of the manual(s). Starting from the purchase date, this product includes telephone support and updates for 30 days, and email support for one year.