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Relativistic density functional investigation of Pu(H2O)n3+ clusters

✍ Scribed by Jean-Philippe Blaudeau; Stan A Zygmunt; Lary A Curtiss; Donald T Reed; Bruce E Bursten


Book ID
108313002
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
176 KB
Volume
310
Category
Article
ISSN
0009-2614

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Theoretical investigation of LaC3n+ (n =
✍ Z. J. Wu; Q. B. Meng; S. Y. Zhang πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 152 KB πŸ‘ 2 views

LaC n s 0, 1, 2 clusters have been studied using B3LYP Becke 3 . 3-parameter᎐Lee-Yang-Parr density functional method. The basis set is Dunningr w x Huzinaga valence double zeta for carbon and 2 s2 p2 d for lanthanum, denoted LANL1DZ. Four isomers are presented for each cluster; two of them are edge