Title of article :
The carbon–carbon bond dissociation energy as a function of the chain length
Author/Authors :
Alkorta، نويسنده , , Ibon and Elguero، نويسنده , , José، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2006
Abstract :
All the C–C fragmentations of the linear n-alkanes, CnH2n+2, for n = 2 to n = 10 and the final C–H bond breaking have been calculated with the composite methods G2, G2MP2, G3, G3MP2B3 and G3B3. The results have been compared with the available experimental data.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters