ChemBio3D brings workstation-quality molecular graphics and rigorous computational methods to your desktop. Integration with molecular analysis makes ChemBio3D the ideal software for chemists and biochemists.
Chem3D predicts spectra via computational chemistry packages:
- 1H-NMR and 13C-NMR
- IR spectra
- UV spectra
- VIS spectra
The computational chemistry packages which include spectra predictions are:
- MOPAC: IR spectra
- GAMESS: 1H-NMR spectra, 13C-NMR spectra and IR/Raman spectra
- Jaguar: IR spectra
- Gaussian: NMR spectra, IR/Raman spectra, UV/Vis spectra
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