Spectroscopy (IR Spectra, UV Spectra, NMR Spectra)
As well as offering web access to the US NIST (National Institute of Standards and Technologies) IR spectra and UV databases and the University of Cologne NMR database, Spartan also offers the ability to calculate IR spectra, NMR spectra and UV spectra of molecules. It is also capable of calculating NMR chemical shifts using the Hartree-Fock and Density Functional Theory methods. NMR chemical shift calculations are available for Hartree-Fock and included in Spartan.
For more information on all Spartans Databases click here.
Calculate IR spectra, UV spectra and NMR Spectra with Spartan