Interactions in Open/Shell Clusters

奥克兰大学的Maria Szczesniak-Bryant得到了理论与计算化学项目的支持，她的工作涉及对开壳基团簇中的分子间力的从头计算研究。目前正在研究三种化学上有趣的体系，包括预反应配合物、簇和过渡金属与He的配合物。这项工作是与波兰华沙大学的Grzegorz Chalasinski合作进行的，他也被任命为奥克兰大学的客座教授。预计他们的工作将在化学反应的工业控制、通过研究金属团簇在纳米技术方面产生更广泛的影响，并可能对量子计算设备的发展产生长期影响。其他更广泛的影响是通过PI与奥克兰大学本科生的广泛工作产生的。

Maria Szczesniak-Bryant of Oakland University is supported by the Theoretical and Computational Chemistry program for work involving ab initio studies of intermolecular forces in clusters of open-shell moieties. Three classes of chemically interesting systems are being examined, including pre-reactive complexes,clusters and complexes of transition metals with He. The work is being carried out in collaboration with co-PI Grzegorz Chalasinski, of the University of Warsaw in Poland, who also holds an appointment as Visiting Professor at Oakland. Broader impacts expected from theis work is expected in the industrial control of chemical reactions, in nanotechnology through the study of metallic clusters and, possibly, in long-term effects on the development of quantum computing devices. Other broader impacts are occurring through the extensive work of the PI with undergraduates at Oakland University.