✦ LIBER ✦

Ab initio calculation of the heats of formation of CF3OH and CF2O

✍ Scribed by J.A. Montgomery Jr.; H.H. Michels; J.S. Francisco

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 474 KB
Volume: 220
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00211-8

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✦ Synopsis

The heats of formation of the trifluoromethanol (CFrOH) and carbonic difluoride (CFrO) molecules are calculated with theoretical methods of demonstrated high accuracy. The results are used to assess the accuracy of the reported value of the heat of formation of CF,O and to provide an accurate estimate for CFrOH. The implications of these results for atmospheric chemistry are discussed.

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