Experimental and Theoretical Investigations of Organic Reaction Rates and Mechanisms

通过这项续订提案，有机和高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。这项工作的目的是使用理论和计算方法解决四个项目，周环机制，分子装置设计，生物催化，和有机金属机制。胡克在周环反应的计算研究和理解方面处于世界领先地位。他继续在准确预测激活参数的方法学方面做出关键贡献，并在解开机械细节方面做出贡献，包括协调和非激进替代方案之间的竞争。通过拟议的工作，我们将更好地了解周环反应，这在智力上具有挑战性，而且具有合成重要性。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，并辅之以实验研究。这项研究为本科生、研究生和博士后提供了宝贵的经验。有了这个奖项，化学系的有机和高分子化学项目支持了加州大学洛杉矶分校的肯德尔·N·胡克教授的研究活动。胡克教授在分子设备和材料以及生物催化应用领域的工作与对美国非常重要的技术领域有很强的重叠。目前的资金期限将允许胡克教授创造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.