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A Theoretical Study of Hydrodesulfurization and Hydrogenation of Dibenzothiophene Catalyzed by Small Zeolitic Cluster

✍ Scribed by Xavier Rozanska; Xavier Saintigny; Rutger A. van Santen; Sylvain Clémendot; François Hutschka

Book ID
112256749
Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
307 KB
Volume
208
Category
Article
ISSN
0021-9517

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✍ Ihsan Boustani 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 395 KB

The structure and stability of small boron clusters B,, (n = 2-14) have been investigated employing density functional theory. The search for minima was performed using gradient methods at the local spin density level. Most of the final structures prefer planar or quasi-planar forms and can be consi