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Here, heats of reaction is meant to include nonassociative reactions. This excludes a large portion of aluminum organometallic chemistry.
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56
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85034299477
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13 The choice of using the experimental heat of formation for the H atom to calculate heats of formation has a small favorable effect on B3LYP computed values and an unfavorable effect on BLYP calculations. Note that, without this effect, G1 and G2 heats of formations are only ∼4 kcal/mol superior to B3LYP calculatons.
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