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A density functional investigation of MoSin (n=1–6) clusters

✍ Scribed by Ju-Guang Han; Frank Hagelberg

Book ID
114141582
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
318 KB
Volume
549
Category
Article
ISSN
0166-1280

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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