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Spectroscopy Software

Acorn NMR
Programs work with NMR data and simulate shimming.

Advanced Chemistry Development
Chromatographic simulation and spectra database management. Also, physical and chemical properties software.

AHSystems Group
Thermodynamics, kinetics, molecular modeling, NMR simulation.

Blackman, Adrian
For teaching identification of unknowns, spectroscopy, and stereochemistry.

Chemistry Software.com
Wide selection of analytical, educational, and lab management software.

Compilation of Educational NMR Software
Elementary to advanced levels. From Peter Lundberg, Linkoping University Hospital, Sweden.

Fiveash Data Management
Searchable spectral databases include FTIR, NMR and Raman.

Galactic Industries
Spectral data acquisition, management, and search software.

GAMMA
Allows programming of magnetic resonance simulations. Supplied by the National High Magnetic Field Laboratory.

HighChem
Mass spectral analysis software.

LabControl
Data handling for all types of spectroscopy.

Mass Evolution
Developers of EZScan, a mass spectrometry data system.

NMR at Widener University
Lectures, problem sets, Mathcad documents, and applicable software. From Scott Van Bramer, Widener University.

PERCH Project
Interpretation of 1-D NMR spectra. From University of Kuopio, Finland.

ProLab Resources
Features mass spectrometry analysis software.

Scientific Instrument Services
Software for many makes and models of mass spectrometers. Includes wealth of mass spectroscopy information and references including resins used for packing columns, exact mass calculators, supplies, and equipment.

Spectral Data Processor
X-ray photoelectron spectroscopy interpretation software. From XPS International.

Spin Up
Software and hardware offerings are applicable to graphics, molecular biology, molecular modeling, and spectroscopy.

TeleSpec
Send molecular structure of organic compound and receive infrared spectrum. Conversely, send IR spectrum and receive 3D structure. From University of Erlangen-Nürnberg.