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Meta-Substituted Thienyl Benzenes: A Comparative Synthetic, Structural and Computational Study

โœ Scribed by Cornacchio, Angelica L. P.; Price, Jacquelyn T.; Jennings, Michael C.; McDonald, Robert; Staroverov, Viktor N.; Jones, Nathan D.


Book ID
120057196
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
744 KB
Volume
74
Category
Article
ISSN
0022-3263

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Adsorption of benzene, fluorobenzene and
โœ L. A. Zotti; G. Teobaldi; K. Palotรกs; W. Ji; H.-J. Gao; W. A. Hofer ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 244 KB ๐Ÿ‘ 1 views

## Abstract We modelled the adsorption of benzene, fluorobenzene and metaโ€diโ€fluorobenzene on Cu(110) by Density Functional Theory. We found that the adsorption configuration depends on the coverage. At high coverage, benzene assumes a tilted position, while at low coverage a horizontal slightly di