The Infrared & Raman Discussion Group

Adept Scientific http://www.adeptscience.co.uk/

Galactic http://www.galactic.com/

Oxford Molecular  http://www.oxmol.co.uk/

CambridgeSoft http://www.camsoft.com/

Essential FTIR Software http://www.essentialFTIR.com/

Software development has followed the same pattern as sample accessory development with the growth of universal applicable software in parallel with instrumental software for carrying out a range of spectroscopic manipulations and library searches for spectra which may be imported to a PC or other computer using a universal file transfer protocol such as JCAMP.DX There have been a number of movements to link spectroscopic software with molecular modelling software in order to relate spectral and molecular features. 

Columbus EPSRC Computer Service. http://www.hpc.rl.ac.uk/columbus/tech.htm

UK Computational Chemistry Working Party (UK CCWP) http://www.ccwp.ac.uk/

Gaussian Inc http://www.gaussian.com/

The UK CCWP is an advisory body to the UK Computational Chemistry Facility set up by a grant from the EPSRC. Columbus computational hardware described is maintained by the CLRC and provides support for a range of software of which the most popular is the Gaussian package The software described is idealy suited to scalar type computations which are prevalent in quantum chemistry type software. The Web sites associated with these facilities include information on a wide range of computational opportunities and software relevant to spectroscopy.