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Complete basis set ab initio computational study of three-dimensional aromaticity in highly symmetric hydrogen clusters

✍ Scribed by B.S Jursic


Book ID
114143644
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
67 KB
Volume
490
Category
Article
ISSN
0166-1280

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Complete basis set and Gaussian-2 ab ini
✍ Branko S. Jursic πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 159 KB

Energies for highly symmetric cyclic hydrogen clusters H with D n nh Ε½ . Ε½ . 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