Intramolecular hydrogen bond and vibrational spectroscopic study of cellulose oligosaccharide using density functional theory

The structural geometry, intramolecular hydrogen bond (H-bond) and IR spectra of cellulose oligosaccharide with degree of polymerization up to 5 are studied by density-functional theory (DFT) at CAM-B3LYP/6-311G(d,p) level in this study. Bader’s QTAIM is used to elucidate long-range forces of non-bo...

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Bibliographische Detailangaben

Hauptverfasser:	Pambudi, Agung B., Priyangga, Arif, Hartanto, Djoko, Atmaja, Lukman
Format:	Tagungsbericht
Sprache:	eng
Schlagworte:	Cellulose Degree of polymerization Density functional theory Hydrogen bonds Infrared radiation Infrared spectroscopy Ion adsorption Oligomers Oligosaccharides Spectra
Online-Zugang:	Volltext
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