With unsurpassed visualization and a wide range of well documented computational methods in a single user-friendly software tool, Spartan delivers the full power of molecular modeling to chemists everywhere. From lead selection and optimization to process development, from chemistry education to quantum chemical research - Spartan provides state-of-the-art chemistry technology for your desktop computer.
Spartan combines state of the art quantum and molecular mechanics models with an easy to use and highly functional graphical user interface along with access to both internal and external databases. 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, Advanced Correlated methods is provided. Methods above Semi-Empirical theory have been developed by Q-Chem, Inc. With these computational approaches a number fundamental tasks are carried out, including determining equilibrium and transition state structures, reaction and activation energy calculation, spectral calculations including IR, UV/vis, and NMR, conformational searching, molecular similarity analysis and calculation of highly accurate heats of formation with thermochemical recipes like G3, G3(MP2), and T1.
Minimum Windows System Requirements: Intel Pentim III or higher; AMD Athlon Windows 2000, XP, or VISTA Microsoft Internet Explorer 6 or later 1 GB RAM (2 GB for VISTA) 60 GB disk space 1024 x 768 (or higher) graphics resolution