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A Nonparametrized Ab Initio Determination of the Heat of Formation of Hydroxylamine, NH 2 OH

โœ Scribed by Feller, David; Dixon, David A.


Book ID
126310171
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
75 KB
Volume
107
Category
Article
ISSN
1089-5639

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Ab initio calculation of the heats of fo
โœ J.A. Montgomery Jr.; H.H. Michels; J.S. Francisco ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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