Month: September 2016

  • Ethanol IR models

    Click on the link to download a Spartan EDF2/6-31G** model of ethanol monomer and ethanol dimer. The models have been combined in a single file (a ‘list’ model) and they already contain calculated IR spectra, so do not replace them with SSPD models.

    Note: the IR frequencies in these models are unscaled and do not reproduce experimental values.

  • Study, study, study? Take a Tonematrix break

    Computers – source of endless entertainment or endless drudgery? A little of both, right.

    Why not turn your computer into a mood enhancer by making some music with the Tonematrix audio tool. 2 minutes will put you in another world. And who knows? When you come back to our world, you might be just a little more able to dip into organic chemistry. Or become the next Philip Glass.