Click on one of the following links to learn more:
Main Page | Graphical User Interface | Computational Methods | Tasks Performed
Properties Calculated | New Features | User's Guide and Tutorial | Pricing

The Spartan Computational Methods. Spartan Student Edition for Windows provides a targeted set of computational methods in order to address the needs of educators and students. All methods are easily accessed via Spartan's seamless graphical interface, putting real computational power at your fingertips.
   
Methods:
     
  Molecular Mechanics Molecular mechanics is presently the only practical method for calculations on very large molecules. Molecular mechanics models may be applied to molecules containing up to 1,000 atoms. MMFF94 has been specifically parameterized to reproduce geometries and conformations of organic molecules and biopolymers.
     
  Semi-Empirical
Molecular Orbital
Semi-empirical models are the simplest of the quantum chemical schemes, and are useful for equilibrium and transition-state structure calculations. The semi-empirical method included in the Student Version, PM3, has proven to be a reliable tool for geometry calculations on transition metal inorganic and organometallic compounds. Semi-empirical models are applicable to molecules containing up to 50 atoms. PM3 parameters for most transition metals are now available.
     
  Hartree-Fock
Molecular Orbital
Hartree-Fock models are ideal for structure, energy and property calculations, in particular for organic molecules. They are applicable to molecules containing up to 30 atoms. Two extensive basis sets are included: 3-21G and 6-31G*.