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    Interactions Between Sodium Ion and Constituents of Chitosan: DFT Study 

    Emmanuel, Marwa; Pogrebnaya, Tatiana P.; Pogrebnaya, Alexander M. (Science Publishing Group, 2015-09-03)
    Glucosamine and acetylglucosamine are the constituents of chitosan and chitin natural biopolymers. In the present study, the structure and properties of the D-glucosamine monomer (A), N-acetylglucosamine monomer (B), and ...
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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 ...

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    Author
    Emmanuel, Marwa (2)
    Pogrebnaya, Alexander M. (2)
    Pogrebnaya, Tatiana P. (2)
    SubjectAcetylglucosamine (1)Enthalpies of Reactions (1)Geometrical Structure (1)Thermodynamic Functions (1)Vibrational Spectrum (1)... View MoreDate Issued2015 (2)Has File(s)Yes (2)

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