Research in the McCoy group focuses on two interrelated areas of investigation. The first involves the development of theoretical and computational approaches that allow us to investigate molecules and complexes that undergo large amplitude vibrational motions even at low-levels of excitation. These are processes that are important in a variety of contexts, including systems of interest in astrochemistry, atmospheric chemistry, and in combustion processes. They also allow us probe more fundamental phenomena, such as hydrogen bonding or long-range charge transfer. These represent systems for which standard tools are insufficient, making them particularly interesting from a theoretical perspective. In choosing problems to study, we focus on systems that have been studied or are currently being studied by our experimental collaborators, or are potential targets for future experimental investigation.
