US-UK Cooperative Research: Theoretical Studies of Highly Vibrationally Excited and Reactive Molecules

该奖项将支持詹姆斯教授之间的合作研究 T.海恩斯，科罗拉多大学，博尔德，和马克S。孩子， 牛津大学理论化学系。 这些研究人员 将研究分子内能量流动的机制， 是由热振动产生的，并将构建一个理论， 由分子转动引起的振动模式之间的能量流动; 他们将特别研究能量流入和由此产生的离解 过氧化氢 海因斯博士在这方面有相当丰富的经验， 化学反应理论，但这种能量耦合的研究， 旋转模式超越了早期的研究， 仅通过振动势能或动能耦合。 美国调查员在理论研究方面经验丰富 化学解离，而他的英国。合作者有 分子内动力学分析的互补专业知识， 特别是能量存储的振动和旋转模式。 研究人员将继续他们的理论研究， 分析和计算机方法，以及经典和量子方法。 最终可能会在激光领域获得重大利益 物理学，在那里正确理解现象发生在 缺乏分子尺度。

This award will support collaborative research between Professor James T. Hynes, University of Colorado, Boulder, and Dr. Mark S. Child, Theoretical Chemistry Department, Oxford University. These researchers will investigate the mechanisms of energy flow within molecules that are derived from thermal vibrations, and will construct a theory for energy flow between vibrational modes induced by molecular rotation; they will study in particular energy flow in and resultant dissociation of hydrogen peroxide. Dr. Hynes has considerable experience in the theory of chemical reactions, but this study of energy coupling by rotational modes goes beyond earlier studies which have involved coupling only by vibrational potential or kinetic energy. The U.S. investigator has extensive experience in the theoretical study of chemical dissociations, while his U.K. collaborator has complementary expertise in the analysis of intra-molecular dynamics and in particular of vibrational and rotational modes of energy storage. The researchers will pursue their theoretical studies using both analytic and computer methods, and classical and quantum approaches. Significant benefits may eventually be obtained for the field of laser physics, where proper understanding of phenomena occurring at the molecular scale is lacking.