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Head-Gordon, M.55
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-1, in the negative sense, were considered insignificant.
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0345190033
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0345190076
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note
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The π-carbonyl bond energy was calculated by a method similar to that in ref 31 for the π-bond energy of ethylene. The heat of the reaction methoxy radical to formaldehyde and hydrogen atom is calculated to be 36.2 kcal/mol by the group additivity method of Benson.31 With this value and the O-H bond dissociation energy of methanol of 104.4 kcal/mol 33 one obtains 68.2 kcal/mol for the π-carbonyl bond energy in formaldehyde.
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77
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0001998551
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Levin, R.D.5
Mallard, W.G.6
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