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Theoretical study of hydrated Be2+ ions

✍ Scribed by Kenro Hashimoto; Nobuyuki Yoda; Suehiro Iwata

Book ID
107942260
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
943 KB
Volume
116
Category
Article
ISSN
0301-0104

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πŸ“œ SIMILAR VOLUMES

Quantum chemical study of the molecular
Quantum chemical study of the molecular dynamics of hydrated Li+ And Be2+ cations
✍ Gerhard Bischof; Alexander Silbernagl; Kersti Hermansson; Michael Probst πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 265 KB πŸ‘ 2 views

Molecular dynamics simulations of clusters of Li q and Be 2q cations with up to 12 water molecules were performed calculating the particle trajectories using Hartree᎐Fock-derived forces. It was found that independent of the starting configuration tetrahedral clusters are obtained in less than 1 ps.