overtone-vpt2
Anharmonic vibrational spectra (fundamentals, overtones, combination bands, IR/NIR intensities) with VPT2 for any ASE calculator
Activity
- Latest release
- 5d ago
- Total releases
- 1
- Cadence
- —
- Last 12 months
- 1
Details
- License
- unknown
- First release
- Oct 26, 2026