The Dissociation Energy of the Hooo Radical

Details The Dissociation Energy of the Hooo Radical The Dissociation Energy of the Hooo Radical

Jun 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009mss..confeti02v&link_type=abstract

"International Symposium On Molecular Spectroscopy, 64th Meeting, Held 22-26 June, 2009 at Ohio State University. http://molspec

Physics

Atmospheric Species

Scientific paper

The dissociation of the hydrogen trioxyl radical (HOOO) to OH and O_2 has been studied theoretically using coupled cluster methods. The calculated dissociation energy for the trans-HOOO isomer is 2.4 kcal/mol including zero-point corrections. The minimum energy path to dissociation has been explored and an exit barrier has been revealed, thereby rationalizing the apparent disagreement between theory and experiment on the magnitude of the bond energy.

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