Jaguar Spectroscopy
Jaguar Spectroscopy is an advanced computational spectra prediction tool that helps characterize the molecular structure of small molecules. Determine stereo configuration in chiral molecules without crystallizing the molecule or using X-ray spectroscopy. Benefit from the combined accuracy of conformational search by MacroModel and fast calculations based on pseudo-spectral density functional theory with Jaguar.
Jaguar Spectroscopy requires a Jaguar Spectroscopy license. All dependencies are included.