Experimental and Theoretical Investigations of Organic Reaction Rates and Mechanisms

通过这一更新提案，有机和大分子化学项目支持加州大学洛杉矶分校化学系Kendall N. Houk博士正在进行的工作。这项工作的目的是利用理论和计算方法来解决四个项目，周环机制，分子器件设计，生物催化和有机金属机制。Houk在计算研究和理解周环反应方面处于世界领先地位。他继续在准确预测活化参数的方法学方面做出了重要贡献，并在揭示机制细节方面做出了重要贡献，包括协同和双自由基替代品之间的竞争。通过提出的工作，我们将更好地理解逐步周环反应，这是智力上的挑战，并具有综合重要性。此外，PI继续将他在周环反应和计算方法方面的专业知识应用于新的领域，使用理论方法和实验研究相辅相成。这项研究为本科生、研究生和博士后提供了宝贵的经验。通过这个奖项，化学学部的有机和大分子化学项目支持了加州大学洛杉矶分校的Kendall N. Houk教授的研究活动。Houk教授在分子器件和材料以及生物催化应用领域的工作与美国重要的技术领域有很强的重叠。目前的资助将允许Houk教授产生的基础知识转移到其他应用领域，从而增强美国在化学技术方面的竞争优势。

With this renewal proposal the Organic and Macromolecular Chemistry Program supports the ongoing work of Dr. Kendall N. Houk in the Department of Chemistry at the University of California, Los Angeles. The work is aimed at using theoretical and computational methods to address four projects, pericyclic mechanisms, molecular device design, biological catalysis, and organometallic mechanisms. Houk is the world leader in the computational study and understanding of pericyclic reactions. He continues to make key contributions on methodology for accurate predictions of activation parameters, and in unraveling mechanistic details including competitions between concerted and diradical alternatives. Through the proposed work we will gain a better understanding of stepwise pericyclic reactions, which is intellectually challenging, and of synthetic importance. In addition, the PI continues to apply his expertise in pericyclic reactions and computational methods to new areas using theoretical methods that are complemented by experimental studies. The research provides valuable experience for undergraduate, graduate, and postdoctoral students.With this Award, the Organic and Macromolecular Chemistry Program of the Division of Chemistry supports the research activities of Professor Kendall N. Houk of the University of California- Los Angeles. Professor Houk's work in the application areas of molecular device and materials and biological catalysis overlap strongly with technology areas of importance to the U.S. The current period of funding will allow the fundamental knowledge generated by Prof. Houk to be transferred into other application areas that could bolster America's competitive edge in chemical technology.