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Complete basis set and gaussian ab initio computational study of lithium and sodium insertion reactions with hydrogen molecule

✍ Scribed by Branko S. Jursic


Book ID
114143508
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
113 KB
Volume
491
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