In addition, a possible change in Gibbs free energy due to the transformation occurring was calculated for the three highest-ranking transformations. The reaction equations were balanced as outlined in (26) by using small molecules that are common byproducts of syntheses such as water, carbon dioxide, etc as also outlined in . The Gibbs energy of reaction was calculated by Mr Yehia Amar (group member) in Gaussian 09 with geometry minimisation using ωB97XD level of theory and a cc-PVDZ basis set followed by frequency calculation with the same level of theory to confirm that the found minimum is the true minimum. Single point energy calculation was then carried out using the same level of theory and a basis set of cc-PVTZ assuming no solvation. Clearly the Gibbs free energy of reaction assuming the molecules are in a vacuum will not yield the same answer as when calculating it in a solvent. Due to the very limited amount of data available on these reaction suggestions however there is no solvent information available. As the calculation is only a rough estimate and liable to change under the ultimate conditions in the laboratory the added uncertainty due to the calculation being carried out without solvent is taken to be acceptable.