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Isomers of the Uracil Dimer: An ab Initio Benchmark Study

✍ Scribed by Frey, Jann A.; Müller, Andreas; Losada, Martin; Leutwyler, Samuel


Book ID
127218856
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
281 KB
Volume
111
Category
Article
ISSN
0022-3654

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An ab initio study of the C78 fullerene
✍ John R. Colt; Gustavo E. Scuseria 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 683 KB

The five possible isolated-pentagon fullerene isomers of C, are investigated employing the Hartree-Fock self-consistent field method with minimaI and double-zeta quality basis sets. Gf the five structures, two have Cr, symmetry (C,(I) and C,,( II) ), two others have D3,, symmetry (D,,,(I) and Dab (I