Ab initio calculation of the heats of fo
β
J.A. Montgomery Jr.; H.H. Michels; J.S. Francisco
π
Article
π
1994
π
Elsevier Science
π
English
β 474 KB
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 estima