Spartan is a software application for molecular modeling and analysis for the field of computational chemistry. With its unique visualization, the program will show you a vision beyond numbers and calculations. Spartan, powered by computer graphics, allows chemical engineers to graphically perform precise molecular modeling based on precise parameters and calculations, which can be used in conformational analysis, molecular structure optimization, spectral analysis and analysis. Used atomic and molecular properties. It is possible to study molecular mechanics in this program, working in semi-empirical methods, basic models, functional models and density-based models, even working with post-Hartree-Fock models and thermal chemistry guidelines including G3 and T1 It is also possible.
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The basic functions of this software provide information about the molecular structure, its relative stability, and other molecular isolation properties. It is usually a common practice in the chemistry of complex molecular mechanics calculations. At Spartan, it is easy to perform these kinds of computations as well as various quantum computations including post-Hartree-Fock and molecular orbitals analysis, especially computations that are more time consuming in relation to electronic correlations. Spartan applies computational chemistry methods (theoretical models) to a number of standard tasks that include computational data for molecular image determination, equilibrium structures and transition states, Raman, IR, MMR, visible uv spectra, atomic molecular properties and chemical reactions. use. The program is currently available for three platforms Windows, Mac and Linux and users can benefit from the software in the environment.
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