What is Spartan?

At its core, Spartan is a seamless integration of computational chemistry methods ranging from Molecular Mechanics to quantum methods including Semi-Empirical, Hartree-Fock Molecular Orbital, Density Functional Theory, Møller Plesset, and Advanced Correlated methods. These core computational approaches are applied to fundamental tasks such as energy calculation, equilibrium and transition state geometry optimization, spectral calculations including IR, UV/vis, and NMR, conformational searching, and scanning geometrical coordinates. With the availability of results as text output, tabulated spreadsheets, plots, and graphical images, Spartan is the ultimate tool for calculating and comparing molecular properties. The Spartan Molecular Database includes more than 130,000 small molecule structures (avg. mol. Wt. 250 amu) pre-calculated at up to 5 quantum chemical methods, facilitating fast Quantitative Structure Activity Relationship analysis. Combining the above with the world's best graphical user interface and Spartan delivers an unparalleled research and productivity package.

While Wavefunction has grown steadily over the last decade, we remain committed to our founding goal: producing affordable, state-of-the-art software that chemists of all disciplines and experience levels will benefit from using. This is what we mean by "Simple. Software. Solutions." and this is the reason for choosing the name Spartan for our flagship molecular modeling software line. In fact, Spartan is so easy to use that it has become the dominant molecular modeling application used in teaching in hundreds of chemistry departments. Spartan provides features that are applicable to the full range the undergraduate chemistry curriculum (general, organic, physical, and inorganic chemistry). The computational methods included in Spartan are sophisticated enough to support academic and commercial research, and yet use of the program is simple enough to be highly relevant in teaching (and learning) fundamental chemistry concepts. Spartan puts Chemistry at Your Fingertips.