Electron density isosurface of a zirconocene complex, color-coded by electrostatic potential, as computed by the DMol program. The geometrical and electronic structures in metallocene complex govern the nature of the polyolefin products produced when single site catalysts of this type are used to catalyze olefin polymerization . Since the end of the ATP project in May 1995, the company has grown at a cumulative annual rate of about 20 percent. The software was used to study biochemically relevant systems. It proved as accurate as other approaches, yet much less expensive.
Commercialization is in progress.
MSI incorporated the ATP-funded technology into the company's existing Turbomole software package, which has been distributed to more than 100 sites. The ATP-funded technology has also been incorporated into MSI's quantum chemistry workbench software. Benefits from the ATP-funded technology are already accruing to users of MSI software, as well as to users of products developed with the software. Expectations for this technology and the company are strong. The technology has been incorporated into commercially distributed products that are being used extensively by a relatively small, yet global, community of scientists in academic, industrial and governmental laboratories for rational drug design and petrochemical research.