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| 151 KB | Microsoft Powerpoint |
Authors
Advisor(s)
Abstract(s)
The hydroxyl radical, HO2, is the intermediate of the H + O2 O + OH reaction of overwhelming importance in atmospheric and reaction chemistry. As a consequence we can found many studies of the potential energy surface of the X 2A'' HO2 ground state.
Description
The corrected DMBE IV potential, here named DMBE IV-C, accurately reproduces the vibrational levels (errors < 0.01 cm-1) and rotational constants, while keeping constant the remaining features of this PES that should control the reaction dynamics.