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