Daniel Ormsby has moved on from the Gibson Group and now works for Accelrys.
Ab initio computations can prove invaluable in the identification and structural charaterisation of novel compounds. As well as structural studies mechanistical studies are now routine as best illustrated here.
	Links to my own pages List of Publications Introduction to ab initio theory Some of my Java animations Delights of Chemistry	Links to pages by others Gaussian 98 On-line Help Molden Simple Huckel MO Calculator Tight VNC (My favourite distribution)
	E-mail address : d.ormsby@ic.ac.uk