Purchase of a Computer

进行前沿研究的化学家越来越依赖于能够处理复杂模拟、数据分析和图形软件的计算机。单个解决方案可以满足在单个实验室计算机上容纳多个用户和在单个化学部门设施上容纳多个用户的需求：单个工作站可以满足大多数用户的需要，而对于其余用户，则可以随时访问其他类型的工作站，并最终连接到微型超级计算机。这份来自化学共享研究仪器项目的合同将帮助位于博尔德的科罗拉多大学化学系获得、维护和操作一个图形计算机系统。此次收购将加强的化学研究领域包括：从头算与半经验计算气相离子分子化学有机自由基的MCSCF计算

Chemists carrying out frontier research are relying more and more on computers that are capable of handling sophisticated simulations, data analysis and graphics software. The need to accomodate multiple users on the single laboratory computer and multiple users on a single chemistry department facility can be met by a single solution: individual work stations for the majority of user needs and, for the remainder, ready access to other types of work stations and, ultimately, to a mini supercomputer. This award from the Chemistry Shared Research Instrumentation Program will help the Department of Chemistry at the University of Colorado at Boulder to acquire, maintain and operate a graphics computer system. The areas of chemical research that will be enhanced by the acquisition include: 1. Ab Initio and Semiempirical Calculations 2. Gas Phase Ion Molecule Chemistry 3. MCSCF Calculations on Organic Radicals