Comment on 'examination of spinel and nonspinel structural models for [gamma]-Al2O3 by DFT and Rietveld refinement simulations
Article Abstract:
An estimated 12 hydrogenated and nonhydrogenated spinel structural models of [gamma]-Al2O3 relative to a solitary nonspinel model are investigated using DFT and models fitted by Rietveld analysis to X-ray diffraction (XRD) data. From a comparison of Rietveld refinement fits to XRD data and the achieved coordination ratio, it is concluded that 'the spinel-related structure model is better than the nonspinel model in description of the bulk structure of [gamma]-Al2O3'.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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On the interpretation of the 1100 cm(super -1) Raman band in phospholipids and other alkyl-containing molecular entities
Article Abstract:
The long-standing issue on the interpretation of a Raman band at 1100 cm(super -1) is discussed. By combining observations from studies on lipid bilayers, alkanes, and polyethylenes, one can definitely assign this band to the presence of isolated gauche bonds.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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