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An ab initio Study of the Silicon—Oxygen—Sulfur Oligomers (SiOS)n (n ≤ 6)

✍ Scribed by Thomas Krueger


Publisher
John Wiley and Sons
Year
2003
Weight
51 KB
Volume
34
Category
Article
ISSN
0931-7597

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An ab initio study of the N8C12 heterofu
✍ Stefano Evangelisti 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 165 KB 👁 2 views

The result of an ab initio investigation on the hypothetical system N C 8 12 is presented. This is a fullerene-like structure with T symmetry. Calculations have been h Ž . Ž . performed at self-consistent field SCF , second-order Møller-Plesset MP2 , and density Ž . Ž . functional theory DFT level,