U.S.-China Cooperative Research (Chemistry) in Quantum Dynamics Studies of Polyatomic Molecules

小行星9312847 该奖项支持与中国济南山东师范大学的中国科学家在多原子分子量子动力学方面的合作。 美国首席研究员、纽约大学的John Zhang将与纽约大学的研究生一起，与山东师范学院的原子与分子物理组进行为期两年的合作。 理解控制单分子反应产物之间的分子内和分子间能量转移和能量分配的基本机制在化学动力学中具有实际意义。 由于激光和分子束技术的发展，单分子反应的研究越来越接近于状态到状态的水平，使用动力学理论来模拟单分子过程以了解表征单分子反应的势能面的详细动力学和特征变得越来越重要和必要。 在这项提案中，研究人员将专注于对HF二聚体和其他氢键复合物的振动预解离以及过氧化氢的直接光解进行严格的量子力学研究。

9312847 Zhang This award supports cooperative work with Chinese scientists at Shandong Teacher's University, Jinan, China on quantum dynamics of polyatomic molecules. The U.S. principal investigator, John Zhang of New York University, will work with NYU graduate students on a two year collaboration with the Atomic and Molecular Physics Group at Shandong Teacher's College. Understanding the fundamental mechanisms that control intra-and intermolecular energy transfer and energy partitioning among the products of unimolecular reactions is of practical importance in chemical dynamics. As studies of unimolecular reaction move ever closer toward state to state level thanks to advances in laser and molecular beam technologies, it is increasingly important and necessary to use dynamical theories to simulate unimolecular processes in order to understand the detailed dynamics and features of the potential energy surfaces that characterize unimolecular reactions. In this proposal, the researchers will focus on rigorous quantum mechanical study for vibrational predissociation of HF dimer and other hydrogen bonded complexes and the direct photodissociation of hydrogen peroxide.