Computational Facility for Structural Chemistry

结构化学计算设施

• 批准号: 8717071
• 负责人: John Ross
• 金额: $ 17.6万
• 依托单位: Stanford University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-03-01 至 1989-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8717071&HistoricalAwards=false
• 关键词: Computational; Facility; Structural; Chemistry

Knowledge of molecular structure and dynamics and the ability to utilize and compare structural results are central to contemporary chemical research. In this arena, it is essential that the modern chemistry department have state-of- the-art computational facilities in order to enhance the research capabilities of active faculty. This award, co-funded by the Chemistry Shared Instrumentation Program and the Biological Instrumentation Program, will aid in the acquisition of computer equipment that will upgrade existing computational facilities and add new capabilities in the Department of Chemistry at Stanford. The areas of chemical research that will be enhanced by the acquisition include: 1) Structural Inorganic Chemistry of Metal Porphyrin Complexes 2) Structural Studies of Bioinorganic Systems 3) Stucture and Dynamics of Polymer Systems 4) Structural Chemistry of Osmium Complexes 5) Calculations of Magnetic Field Effects and NMR Data Analysis 6) Organic Synthesis and Transition Metal Catalysis 7) Synthetic Structural Organic Chemistry

分子结构和动力学知识， 利用和比较结构结果是核心， 当代化学研究 在这个竞技场， 现代化学系必须具备... 先进的计算设施，以提高 活跃的教师的研究能力。 该奖项由化学共享仪器共同资助 计划和生物仪器计划，将有助于 购买将升级的计算机设备 现有的计算设施，并增加新的能力， 斯坦福大学的化学系。 化学领域 此次收购将加强的研究包括： 1)金属卟啉配合物的结构无机化学 2)生物无机体系的结构研究 3)高分子体系的结构与动力学 4)锇配合物的结构化学 5)磁场效应计算与核磁共振数据分析 6)有机合成与过渡金属催化 7)合成结构有机化学