Purchase of Hardware and Software for a Chemical Visualization Facility

化学研究仪器和设施计划的这一奖项将帮助密歇根州立大学化学系购买量子化学可视化系统。 具体研究领域包括：（1）凝聚态物质中过剩电子的模拟;（2）复杂生物膜系统的结构和性质建模;（3）离子有机自由基的磁性材料;（4）含第一过渡系列元素的双原子和小多原子分子的电子和几何结构;（5）脂多糖的结构与性质。 量子力学可视化系统中的计算机硬件和软件允许人们在真实的实验室环境中模拟分子中发生的相互作用，并以可视化的方式呈现这些相互作用。

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.