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Density Functional Theoretical Studies on Polyaniline/HNb3O8 Layered Nanocomposites

โœ Scribed by G. Yang; W. Hou; X. Feng; X. Jiang; J. Guo


Book ID
101413579
Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
366 KB
Volume
17
Category
Article
ISSN
1616-301X

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๐Ÿ“œ SIMILAR VOLUMES


Theoretical density functional theory st
โœ Dorota Rutkowska-Zbik; Malgorzata Witko; Grazyna Stochel ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 202 KB

## Abstract We present __abโ€initio__ density functional theory studies on the interactions of small biologically active molecules, namely NO, CO, O~2~, H~2~O, and NO with the fullโ€size heme group. Our results show that the small moleculeโ€“iron bond is the strongest in carbonyl and the weakest in nit