Acquisition of an Upgraded Departmental Minicomputer

购置升级版部门小型电脑

• 批准号: 8712319
• 负责人: Louis Quin
• 金额: $ 5.2万
• 依托单位: University of Massachusetts Amherst
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1987
• 资助国家: 美国
• 起止时间: 1987-12-01 至 1989-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8712319&HistoricalAwards=false
• 关键词: Acquisition; Upgraded; Departmental; Minicomputer

The use of computers in modern chemistry departments is becoming more and more essential for the support of meaningful research at the cutting edge of the field. The acquisition of an upgraded departmental minicomputer for the Chemistry Department at the University of Massachusetts at Amherst will be supported by both the Chemistry Shared Instrumentation Program and the Instrumentation for Materials Research Program. The acquisition will enhance the following areas of chemistry: 1) Computational modeling of molecules with unusual electronic and chemical properties. 2) Studies on the electronic structure of hole-molecules and the electronic states of molecular defects in condensed media. 3) Comparison of experimental and theoretical quadrupole coupling data in molecules. 4) The dissociation dynamics of molecules on metal surfaces.

现代化学系中计算机的使用对于支持该领域前沿的有意义的研究变得越来越重要。 马萨诸塞大学阿默斯特分校化学系购买升级的系小型计算机将得到化学共享仪器计划和材料研究仪器计划的支持。 此次收购将增强以下化学领域：1）具有不寻常电子和化学特性的分子的计算建模。 2）凝聚态介质中空穴分子的电子结构和分子缺陷的电子态研究。 3）分子中四极耦合实验数据与理论数据的比较。 4）金属表面分子的解离动力学。