Vibrational Spectroscopy

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Vibrational frequencies and IR spectrum of ethane

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

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Analysis of the VCD spectrum of Oxirane with VCDtools

Keywords: ADF, Vibrational circular dichroism, GCO Analysis, VCDtools

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Vibrationally resolved electronic spectra with ADF

Keywords: ADF, Franck-Condon (VG-FC), Vibronic-Structure Tracking (VST), Excited states

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Resonance Raman

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

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Mode Refinement

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

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Mode Tracking

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

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Vibrationally resolved electronic spectra with DFTB

Keywords: DFTB, Franck-Condon (VG-FC), Vibronic-Structure Tracking (VST), Excited states