WaveFunction Spartan 14 v1.1.4 is a software that enables chemical engineers and researchers to perform accurate molecular modeling and analysis based on computational chemistry methods. With its unique visualization, Spartan shows a perspective beyond numbers and calculations, allowing users to graphically explore molecular structures, spectra, properties, and reactions.
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Spartan supports various theoretical models, such as molecular mechanics, semi-empirical methods, density functional theory, post-Hartree-Fock methods, and thermochemistry methods. Users can easily perform conformational analysis, optimization of molecular structures, spectral analysis (NMR, IR, Raman, UV-Vis), and investigation of atomic and molecular properties (such as dipole moments, charges, energies, etc.). Spartan also allows users to study molecular orbitals, especially those related to electron correlation, which are more time consuming and complex.
Spartan is compatible with Windows, Mac, and Linux platforms, and can interface with several databases, such as the Spartan Spectra and Properties Database (SSPD), the Cambridge Structural Database (CSD), and the Protein Data Bank (PDB). Users can benefit from the capabilities of this software in their desired environment and access a large collection of molecular data.
Spartan is a cutting-edge software that provides chemistry at your fingertips. It is used by hundreds of commercial and government research organizations and thousands of academic institutions worldwide. For determining molecular structure and calculating chemical properties, there is no better tool than Spartan.
To use Spartan software, users need to download and install the appropriate version for their platform (Windows, Mac, or Linux) from the Wavefunction website. Users can request a demo version or purchase a license for the full version. Users can also access the online store and the support page for more information and assistance.
Once installed, users can launch Spartan and access its graphical user interface, which consists of several menus, toolbars, and windows. Users can build molecules using the 3D molecule builders or the 2D sketching environment, or import molecules from databases or files. Users can then select the desired theoretical model and task from the menus, and submit the calculation. Users can monitor the progress of the calculation and view the results in various formats, such as tables, graphs, spectra, animations, etc. Users can also modify the display options and export or print the results.
Spartan software is designed to be intuitive and user-friendly, but also provides extensive documentation and tutorials for users who want to learn more about its features and capabilities. Users can access the help menu or the online resources to find answers to their questions and problems. Users can also contact Wavefunction support team for technical issues or feedback.
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