✦ LIBER ✦

An accurate determination of the HO2 heat of formation

✍ Scribed by Charles W. Bauschlicher Jr.; Harry Partridge

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 482 KB
Volume: 208
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)89069-t

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✦ Synopsis

The heat of formation of HO2 has been determined using highly accurate ab initio calculations. Our computed value is 3.5 +0.5 kcal/mol at 0 K (or 2.8kO.5 kcal/mol at 298 K). The accuracy of the current result is estimated on the basis of calibration calculations on Hz, OH, H,O, 02, and H202, which are also discussed in this work.

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