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Heat of Formation of CH2OHThe heat of formation of CH2OH at 298 K is determined to be -15.2 +/- 3.5 kJ/mol using high levels of theory. This is in good agreement with some recent experimental determinations. The assignment of the error bars is discussed in detail and compared with that assigned in previous theoretical calculations. The largest uncertainty arises from the calculation of the zero-point energy.
Document ID
20000023183
Acquisition Source
Ames Research Center
Document Type
Reprint (Version printed in journal)
Authors
Bauschlicher, Charles W., Jr. (NASA Ames Research Center Moffett Field, CA United States)
Partridge, Harry (NASA Ames Research Center Moffett Field, CA United States)
Date Acquired
August 19, 2013
Publication Date
February 17, 1994
Publication Information
Publication: Journal of Physical Chemistry
Publisher: American Chemical Society
Subject Category
Inorganic, Organic And Physical Chemistry
Distribution Limits
Public
Copyright
Other

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