Analysis of the structure and vibrational spectra of glucose and fructose

Molecular modelling using semiempirical methods AM1, PM3, PM5 and, MINDO as well as the Density Functional Theory method BLYP/DZVP respectively were used to calculate the struc- ture and vibrational spectra of d-glucose and d-fructose in their open chain, α-anomer and β-anomer monohydrate forms. The...

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Bibliographic Details
Main Authors: Medhat Ahmed Ibrahim, Mousa Allam, Hanan El-Haes, Abraham F. Jalbout, Aned de Leon
Format: Article
Language:English
Published: Universidade Estadual Paulista 2018-05-01
Series:Eclética Química
Online Access:https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/424