| dc.creator |
Emmanuel, Marwa |
|
| dc.creator |
Pogrebnaya, Tatiana P. |
|
| dc.creator |
Pogrebnaya, Alexander M. |
|
| dc.date |
2020-03-11T09:09:56Z |
|
| dc.date |
2020-03-11T09:09:56Z |
|
| dc.date |
2015-10-30 |
|
| dc.date.accessioned |
2022-10-25T09:24:35Z |
|
| dc.date.available |
2022-10-25T09:24:35Z |
|
| dc.identifier |
http://dx.doi.org/10.4236/oalib.1101978 |
|
| dc.identifier |
http://dspace.nm-aist.ac.tz/handle/123456789/628 |
|
| dc.identifier.uri |
http://hdl.handle.net/123456789/95588 |
|
| dc.description |
This research article published by Open Access Library Journal, 2015 |
|
| dc.description |
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 done under 6-31G(d) basis set, and energies of the reactions
were obtained using 6-311++G(d, p) basis set. The enthalpies of the association reactions of the
dimers of glucosamine and acetylglucosamine with Na+ have been determined. The internal hydrogen bonds OH…O and NH…O have been shown to play an important role in conformational behavior of a particular molecule. |
|
| dc.format |
application/pdf |
|
| dc.language |
en |
|
| dc.publisher |
Open Access Library Journal |
|
| dc.subject |
Acetylglucosamine |
|
| dc.subject |
Enthalpies of Reactions |
|
| dc.subject |
Thermodynamic Functions |
|
| dc.title |
Theoretical Study of the Interaction between Chitosan Constituents (Glucosamine and Acetylglucosamine Dimers) and Na+ Ions |
|
| dc.type |
Article |
|