**Appendix: supporting information (All computed molecule Cartesian coordinates (XYZ)) were optimized at the M06-2X/6-31g(d) level**


#### *Quantum Calculations to Estimate the Heat of Hydrogenation Theoretically DOI: http://dx.doi.org/10.5772/intechopen.93955*


#### *Advanced Applications of Hydrogen and Engineering Systems in the Automotive Industry*


#### *Quantum Calculations to Estimate the Heat of Hydrogenation Theoretically DOI: http://dx.doi.org/10.5772/intechopen.93955*
