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    • IR, UV/VIS, and NMR spectra predictions

    • Presenter: Jesse Gordon , Company: PerkinElmer Informatics
    • Duration: 6 min
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  • 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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