Interactions in Open/Shell Clusters

点击翻译按钮获取中文摘要

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.