The geometric structure optimization, frequency analysis, infrared spectroscopy, natural charge population, the natural bond orbital (NBO) analysis, the molecular and the frontier orbital energy are calculated about glucose, pyran-fructose, furfuran-fructose and inulin molecule by using density functional theory (DFT) method in B3LYP on the 6-311+g(d,p) basis set level. It is shown the stability order is: furfuran-fructose > pyran-fructose > glucose > inulin. We find that inulin's chemical potential is maximum, the chemical hardness is...
