A graphical user interface to computational chemistry packages like Gamess, Gaussian, and Molcas. It can display molecular orbitals and calculate spectra.
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Chemissian is a specialized computational chemistry tool used primarily for analyzing and visualizing the electronic structure of molecules. It is highly valued for its ability to: Calculate and visualize UV-VIS, IR, and Raman spectra. Generate molecular orbital diagrams. Analyze electronic transitions and population analysis. Analyze electronic transitions and population analysis
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