Author/Authors :
Bauschlicher Jr.، نويسنده , , Charles W. and Partridge، نويسنده , , Harry، نويسنده ,
Abstract :
The CH bond energy in C2H6 is computed to be 99.76 ± 0.45 kcal/mol, which is in excellent agreement with the most recent experimental values. The calculation of the CH bond energy by direct dissociation and by an isodesmic reaction is discussed.
