Purchase of Computer Workstations for Chemical Physics

这项来自化学共享研究仪器计划的奖励将帮助耶鲁大学化学系获得四个RISC工作站和一些辅助设备。此次收购将加强的化学研究领域包括：小分子高空电子态的光谱学有机化学反应的轨迹计算模拟离子团簇中发生的过程。高振动状态下小分子的动力学和光谱学在固体核磁共振中测量的自旋相互作用和电子性质进行前沿研究的化学家越来越依赖于计算机能够处理复杂的模拟，数据分析和图形软件。将用这笔赠款购买的工作站不仅本身是功能强大和成本效益高的计算机，而且还将作为通信链路，允许与其他工作站之间传输数据，并提供访问远程位置更强大的计算机的机会。

This award from the Chemistry Shared Research Instrumentation Program will help the Department of Chemistry at Yale University to acquire four RISC workstations and some ancillary equipment. The areas of chemical research that will be enhanced by the acquisition include: 1. the spectroscopy of high-lying electronic states of small molecules 2. trajectory calculation on the organic chemiionization reactions 3. model processes occuring in the ionic clusters 4. the dynamics and spectroscopy of small molecules in high rovibronic states 5. the spin interactions and electronic properties measured in solid-state NMR %%% 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 workstations which will be purchased with this grant are not only powerful and cost effective computers by themselves, but will serve also as communication links to allow transfer of data to and from other workstations and to provide access to remotely located more powerful computers.