Spartan is a software designed for determining molecular structure and calculating chemical properties and is used at hundreds of commercial research sites and at thousands of academic institutions world-wide.


Spartan is an easy to learn and use tool for molecular mechanics, semi-empirical and Hartree-Fock molecular orbital calculations, as well as a wide variety of graphical models, with a full range of density functional models and a broad selection of wavefunction-based post-Hartree-Fock models which have been implemented using what is believed as the most robust algorithms currently available, and have been tuned for high performance.


Spartan is intended to be utilized by chemists, not only computational chemists who are already familiar with the capabilities of molecular mechanics and quantum chemical methods, but also experimental chemists who may have little or no prior experience, but who want to use calculations much in the same way as experimental techniques such as NMR spectroscopy. This ambitious goal is directly reflected in the program’s overall design criteria: “convenient access both to a full range of modern molecular mechanics and quantum chemical models and tools for interpretation of the results of calculations”, and clearly distinguishes Spartan from other molecular modeling packages.


For more information on Spartan Software, click here.

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