Browsing Materials, Energy, Water and Environmental Sciences by Subject "Acetylglucosamine"

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Theoretical Study of the Interaction between Chitosan Constituents (Glucosamine and Acetylglucosamine Dimers) and Na+ Ions

Emmanuel, Marwa; Pogrebnaya, Tatiana P.; Pogrebnaya, Alexander M. (Open Access Library Journal, 2015-10-30)

The interaction of dimers of glucosamine and acetylglucosamine molecules with sodium ion has been studied using the DFT/B3LYP approach. The optimization of geometrical parameters and vibrational spectra calculations were ...