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- W2080315404 abstract "Characteristic signatures of roaming are seen in the translational energy distribution and rotational energy distributions in the products CH3O + NO from the unimolecular dissociation of nitromethane in both theory and experiment. Calculations on a new global potential energy surface reveal the detailed roaming-isomerization dynamics in this process, and these are supported by the experimental observations. Calculations find a characteristic of roaming, namely production of vibrationally excited CH3O, which is consistent with experiment. This continues to challenge the conventional idea in transition state theory of a localized transition state bottleneck that is a cornerstone of chemical reaction theory." @default.
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- W2080315404 date "2013-07-08" @default.
- W2080315404 modified "2023-09-26" @default.
- W2080315404 title "Experimental and Theoretical Studies of Roaming Dynamics in the Unimolecular Dissociation of CH<sub>3</sub>NO<sub>2</sub>to CH<sub>3</sub>O<i />+<i />NO" @default.
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- W2080315404 doi "https://doi.org/10.1524/zpch.2013.0409" @default.
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