Theoretical Studies in Chemical Kinetics and Related Problems

化学动力学及相关问题的理论研究

• 批准号: 9615030
• 负责人: Rudolph Marcus
• 金额: $ 59.4万
• 依托单位: California Institute of Technology
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-02-01 至 2000-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9615030&HistoricalAwards=false
• 关键词: Theoretical; Studies; Chemical; Kinetics; Related

Rudolph A. Marcus of the California Institute of Technology is funded by a grant from the Theory and Computational Chemistry Program of the National Science Foundation to continue theoretical research in electron transfer in large biomolecules and at interfaces. Eight research problems will be addressed: 1) electron transfer and scanning tunnel microscopy (STM) across ordered monolayers; 2) nonadiabaticity and electron transfer in proteins; 3) charge transfer rate constants at semiconductor electrodes; 4) bias dependence of STM images of organic monolayers on graphite; 5) electrochemical inverse photoemission; 6) sequential approach to electron transfer in proteins; 7) intramolecular dynamics and unimolecular reactions; 8) mass-independent isotope effect. This research will address the problem of charge transfer in large biomolecules and will therefore provide clues for the understanding of the mechanism of such processes as photosynthesis. It will also clarify the determination of the structure of surfaces, and will help in the construction of electronic devices, for example. The charge transfer research has also implications for corrosion and batteries.

鲁道夫·A加州理工学院的马库斯 由理论和计算化学计划的资助， 美国国家科学基金会继续进行电子理论研究 在大的生物分子中和界面处转移。八个研究问题 将解决：1）电子转移和扫描隧道显微镜 (STM)2）非绝热性和电子转移 在蛋白质中; 3）半导体上的电荷转移速率常数 4）有机单层的STM图像对 石墨; 5）电化学逆光电发射; 6）顺序 蛋白质中电子转移的方法; 7）分子内动力学和 单分子反应; 8）质量无关同位素效应。 这项研究将解决大规模的电荷转移问题 生物分子，因此将提供线索，了解 光合作用等过程的机制。 它还将澄清 表面结构的确定，并将有助于 例如，电子设备的构造。电荷转移 研究还涉及腐蚀和电池。