Vibrational Spectroscopy

Vibrational frequencies and IR spectrum of ethane
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Keywords: ADF, Geometry Optimization, Vibrational frequencies, Infra Red (IR) spectrum, normal modes, export spectra

Vibrational circular dichroism (VCD)
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Keywords: ADF, Vibrational circular dichroism, GCO Analysis, VCDtools

Vibrationally resolved electronic spectra with ADF
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Keywords: ADF, Franck-Condon (VG-FC), Vibronic-Structure Tracking (VST), Excited states

Resonance Raman
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Keywords: ADF, Franck-Condon (VG-FC) resonance Raman, excited states

Mode Refinement
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Keywords: DFTB, UFF, Mode Refinement, Infra Red (IR) spectrum, normal modes

Mode Tracking
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Keywords: DFTB, Mode Tracking, Infra Red (IR) spectrum, normal modes, C=O stretch

Vibrationally resolved electronic spectra with DFTB
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Keywords: DFTB, Franck-Condon (VG-FC), Vibronic-Structure Tracking (VST), Excited states