Figure 1: Optimized molecular structure of the minimum energy structure of biological molecules in the gas phase with the level of theory B3LYP/6-31G(d). (a) Ala, (b) Asp, (c) His, (d) Cys, (e) Phe, (f) Saccharose, (g) Cytosine, (h) Adenosine, (i) D-Glucose, (j) Palmitic Acid, (k) Palmitoleic Acid.