Purchase of Hardware and Software for a Chemical Visualization Facility

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This award from the Chemistry Research Instrumentation and Facilities Program will assist the Department of Chemistry at Michigan State U in the purchase of a quantum chemical visualization system. Specific areas of research include: (1) Simulations of Excess Electrons in Condensed Matter; (2) Modeling the Structure and Properties of Complex Biological Membrane Systems; (3) Magnetic Materials from Ionophoric Organic Radicals; (4) The Electronic and Geometric Structure of Diatomic and Small Polyatomic Molecules Containing a First Transition Series Element; and (5) Structure and Properties of Lipopolysaccharides. The computer hardware and software in the quantum mechanical visualization system allows one to simulate interactions that take place in molecules in a real laboratory environment and to present these interactions in a visual manner.