Theoretical Studies of Molecular Ions and Clusters

该基金来自理论与计算化学项目，用于研究中性和带电分子的电子结构。特别是，负离子团簇、阴离子与惰性气体原子的相互作用、极性分子团簇对电子的捕获、小分子与铝团簇的相互作用以及臭氧和取代乙烯的激发电子态的势能面都将被研究。这些研究将阐明当前感兴趣的许多化学过程的微观动力学。

This grant from the Theoretical and Computational Chemistry Program supports studies of the electronic structure of neutral and charged molecules. In particular, negative ion clusters, the interaction of anions with inert gas atoms, the trapping of electrons by clusters of polar molecules, the interactions of small molecules with aluminum clusters, and the potential energy surfaces of excited electronic states of ozone and of substituted ethylenes will all be examined. These studies will elucidate the microscopic dynamics of many chemical processes of current interest.