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Geometric and electronic structures of Ti 8 C 12 cluster

โœ Scribed by Jin-long, Yang; Man-hong, Zhang; Shang-da, Xia; Ke-lin, Wang


Book ID
121351488
Publisher
IOP Publishing
Year
1994
Tongue
English
Weight
420 KB
Volume
3
Category
Article
ISSN
1004-423X

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Local spin density functional calculations are performed to study the geometric and electronic structures of the MoC., cluster. A number of possible isomeric structures are examined. The most stable structures is found to be a linear chain, where MO is at one end of the chain. The electronic structu