Experimental and Theoretical Investigations of Organic Reaction Rates and Mechanisms

化学结构，动力学和机制计划支持教授肯德尔N。Houk在加州-洛杉矶大学，他将继续他在反应机制方面的出色工作。他的研究小组在有机周环反应的应用方面处于世界领先地位。这项工作涵盖了从过去50年来大量研究的化学反应到涉及许多原子的非常复杂的金属有机反应的广泛范围。从二十年前的工作进展涉及使用动力学，而不是简单的反应途径来遵循和理解化学反应。在美国国家科学基金会化学部化学结构、动力学和机理计划的支持下，Kendall N. Houk将带来前沿的理论化学概念和技术，以解决化学中最重要的大问题之一，即对化学反应性和反应机制的理解。Houk博士过去的工作表明，他是全球该领域的领导者之一，这项提议将继续使用定量量子化学方法研究反应机制。本科生，研究生和博士后学生都接受过理论和计算的训练，作为解决化学问题的实验的伴侣。通过合作为全国各地的实验人员提供理论支持，导致联合出版物，并拓宽了参与实验和计算科学家的视野。参与该项目的研究生和博士后学生每两周与Houk教授会面，展示他们的成果，并接受专业发展和研究项目的指导。他们也经常有机会在霍克小组每周三小时的会议上展示成果，讨论研究和研究文献，并在专业会议上练习演讲。

The Chemical Structure, Dynamics and Mechanisms Program supports Professor Kendall N. Houk at the University of California- Los Angeles who will continue his excellent work on reaction mechanisms. His research group is the world leader in applications to organic pericyclic reactions. The proposed work spans a broad spectrum from the heavily studied chemical reactions of the last 50 years to quite complex metallo-organic reactions involving many atoms. Evolving advances over work from two decades ago involve the use of dynamics rather than simple reaction pathways to follow and understand chemical reactions. The other advances are the development of computer clusters and programs, which can handle the computation of reaction pathways in molecules with many atoms.With the support of the Chemical Structure, Dynamics and Mechanisms Program in the Chemistry Division at the National Science Foundation, Dr. Kendall N. Houk will bring leading edge theoretical chemistry concepts and techniques to bear on one of the most essential big problems in chemistry, the understanding of chemical reactivity and reaction mechanisms. Dr Houk's past work shows that he is one of the leaders in the field worldwide, and this proposal will continue studies of reaction mechanisms using quantitative quantum chemical methods. Undergraduate, graduate, and postdoctoral students are all trained in the use of theory and computation as a companion to experiments for the solution of chemical problems. Theoretical support to experimentalists throughout the country is provided through collaborations, leading to joint publications and broadening the horizons of participating experimental and computational scientists. Graduate and postdoctoral students involved in this project meet with Professor Houk on a biweekly basis to present their results and to receive mentoring on professional development as well as their research projects. They also have frequent opportunities to present results at the Houk's Group weekly three-hour meetings, have discussions on research and the research literature, and practice for talks at professional meetings.