Electron Transfer Reactions: Mechanisms and Methods (Semi-Classical and Semi-Group)

电子转移反应：机理和方法（半经典和半群）

• 批准号: 0315173
• 负责人: Mark Ratner
• 金额: $ 39万
• 依托单位: Northwestern University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-07-15 至 2006-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0315173&HistoricalAwards=false
• 关键词: Electron; Transfer; Reactions; Mechanisms; Methods

Mark Ratner of Northwestern University is supported by the Theoretical and Computational Chemistry Program to use analytic and numerical methods in addressing non-equilibrium effects on electron transfer dynamics. Applications include bath dynamics, geometric gating of mixing, the transition between coherent and incoherent regimes, anharmonic domination of rates, Poisson processes, rate constant turnovers, and control aspects of electron transfer. Traditional models and newly developed methodologies will be utilized, in close collaboration with experimental efforts.The ultimate aim of this research is a reliable approach for understanding and controlling dynamically dominated electron transfer in molecular and condensed phase systems. Electron transfer is one of the most important processes in chemistry, biochemistry, and materials science, affecting phenomena as diverse as corrosion, weathering, and photosynthesis.

西北大学的Mark Ratner由理论和计算化学计划支持，使用分析和数值方法来解决电子转移动力学的非平衡效应。 应用包括浴动力学，几何门的混合，相干和非相干制度之间的过渡，非谐支配率，泊松过程，速率常数周转，和控制方面的电子转移。 传统的模型和新开发的方法将被利用，在与实验工作密切合作，这项研究的最终目的是一个可靠的方法来理解和控制动态主导的电子转移在分子和凝聚相系统。 电子转移是化学、生物化学和材料科学中最重要的过程之一，影响着腐蚀、风化和光合作用等多种现象。