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Turbomole

turbomole Turbomole is able to perform ground state calculations using standard methods, excited state calculations at different levels, geometry optimizations, transition state searches, molecular dynamics calculations and prediction of various properties and spectra (IR, UV/Vis, Raman, etc.). It comes with its own graphical user interface TmoleX.
For more information on licensing options check here.
Software Licence: Commercial
OS: Linux
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