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Möbius and hückel systems in the SCF and CI approximations

✍ Scribed by Howard E. Zimmerman


Publisher
Elsevier Science
Year
1982
Tongue
French
Weight
623 KB
Volume
38
Category
Article
ISSN
0040-4020

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Complete basis set and Gaussian-2 ab ini
✍ Branko S. Jursic 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 159 KB

Energies for highly symmetric cyclic hydrogen clusters H with D n nh Ž . Ž . symmetry were evaluated with Gaussian-2 G2 and quadratic complete basis set CBSQ ab initio approaches. The energies were compared with linear hydrogen clusters as well as with their energies of formation from hydrogen and c