Zobrazeno 1 - 6
of 6
pro vyhledávání: '"María Jimena Márquez"'
Publikováno v:
Journal of King Saud University: Science, Vol 30, Iss 2, Pp 229-249 (2018)
In this study, three anhydrous species of trehalose and their dihydrated form were studied using the Fourier Transform Infrared (FTIR) and Raman spectroscopy combined with theoretical calculations derived from the theory of the functional of the dens
Externí odkaz:
https://doaj.org/article/3cf71d8ecdc84ebab8cbffe445b357b9
Publikováno v:
JOURNAL OF ADVANCES IN CHEMISTRY. 16:6325-6353
Five stable isomers of antiviral ribavirin agent were theoretically determined in gas and aqueous solution by using the hybrid B3LYP/6-31G* method. Here, the solvent effects were studied with the self consistent reaction field (SCRF) methodology empl
Publikováno v:
Journal of King Saud University: Science, Vol 30, Iss 2, Pp 229-249 (2018)
In this study, three anhydrous species of trehalose and their dihydrated form were studied using the Fourier Transform Infrared (FTIR) and Raman spectroscopy combined with theoretical calculations derived from the theory of the functional of the dens
Publikováno v:
Journal of Molecular Structure. 1100:279-289
In this work, the structural, topological and vibrational properties of an isothiazole derivatives series with antiviral activities in gas and aqueous solution phases were studied by using DFT calculations. The self consistent reaction field (SCRF) m
Publikováno v:
Carbohydrate Research. 407:34-41
In this work, the α and β isomers, the α-lactose monohydrate and dihydrate and the dimeric species of lactose were studied from the spectroscopic point of view in gas and aqueous solution phases combining the infrared, Horizontal Attenuated Total
Publikováno v:
Open Journal of Synthesis Theory and Applications. :1-19
2-Hydroxy-4,6-dimethylpyridine-3-carbonitrile and 2-chloro-4,6-dimethylpyridine-3-carbonitrile compounds have been studied from a theoretical point of view in order to know their structural and vibrational properties in gas and aqueous solution phase