Author Topic: anharmonic vibration  (Read 4049 times)


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anharmonic vibration
« on: April 24, 2013, 02:13:34 PM »

I'm a new TURBOMOLE user. I'm interested in obtain IR spectra from theoretical calculation in order to compare with experimental data. I was looking in TURBOMOLE but I don't find the option for anharmonic calculation. Do not have implemented this option Turbomole yet?