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The CH bond energy of formaldehyde

✍ Scribed by William E. Palke; Bernard Kirtman


Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
279 KB
Volume
148
Category
Article
ISSN
0009-2614

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✦ Synopsis


In order to compare with recent accurate measurements, the carbon-hydrogen bond energy in formaldehyde has been calculated. Both electron correlation and extensively polarized basis sets are required to obtain satisfactory results. The most extensive computation predicts a CH bond energy of 85.4 kcal/mole, which is in good agreement with the experimental result of 86.6 kcal/ mole.


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