Theoretical Study of Α and Β Anomers of Dodecanoyl Xylopyranose Stability using DFT Method

The development of theoretical tools is closely linked to the development of information technology, which make it possible to group together and analyze an increasing number informational. The determination by calculating the structure of a molecule has developed considerably and has made it possible to better understand the theory of molecular structure. It involves the use of theoretical calculation methods. Molecular modelling is an application of theoretical and computational methods to solve problems involving molecular structure and chemical reactivity. The GAUSSIAN program has made it possible to bring quantum chemistry into the laboratories of chemistry, biochemistry, biotechnology and physics and pharmacology. The main of our work is to study the reactivity of the two anomers of synthetized biosurfactants by investigating the molecular structure using Gaussian 9.