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