This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The hydroperoxyl radical has been found to be of great importance in atmospheric chemistry. These radicals are thought to be involved in heterogeneous chemistry (involving water clusters) that affects chemical reactions in the upper atmosphere. As part of this proposal, preliminary investigations, in regards to feasbility and computational method evaluation, will be conducted to study such large systems. The primary target will be to elucidate the structure, dynamical effects and spectroscopy in large water clusters containing HO2 radicals.
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