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Description: Spartan is software suitable for molecular modeling and analysis for computational chemistry. With its unique visualization, this program will show you a perspective beyond numbers and calculations. Using computer graphics, Spartan allows chemical engineers to have accurate molecular modeling based on precise parameters and calculations, which can be used in conformational analysis, optimization of molecular structures, spectral analysis and analysis. Used atomic and molecular properties. It is possible to study molecular mechanics in this program. In this program, it is possible to work with semi-experimental methods, basic models, functional models and density-based models, even the possibility of working with post-Hartree-Fock models and thermal chemistry instructions including G3 and T1. It is also possible.
The basic functions of this software provide you with information about the structure of the molecule, its relative stability, and other molecular isolation properties. Usually in chemical circles, complex molecular mechanical calculations are a common practice. At Spartan, it’s easy to do this calculation, as well as various quantum computations, including post-Hartree-Fock, and the study of molecular orbitals, especially computations that are more time-consuming than electronic correlations. Spartan applies computational chemistry methods (theoretical models) to a number of standard tasks, which include computational data to determine molecular imaging, equilibrium and transition states, MMR, IR, Raman, visible uv spectra, atomic molecular characteristics, and chemical reactions. use. The program is currently available for three platforms, Windows, Mac and Linux, and users can take advantage of the software’s capabilities in the desired environment.
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