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Showing 1 to 1 of 1 for “"CCSD(T) theory"”.
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Investigations of Thermochemistry and the Kinetics of H Atom Radical Reactions
… mechanical calculations up to the G3 level of theory, the C-H bond strengths of several alkanes were calculated. The bond strengths were calculated using two working reactions. From the results, it is apparent that the bond strengths decrease as methyl groups are added to the central carbon. …