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Geometric and electronic structures of the MoC4 cluster

โœ Scribed by Yang Jinlong; F. Toigo; Wang Kelin

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
375 KB
Volume
228
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

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 structures of this chain in the neutral, cationic and anionic charge states are presented.

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The geometric and electronic structures
The geometric and electronic structures of C6H and its ions
โœ M. Fehรฉr; J.P. Maier ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 497 KB

The ground state equilibrium geometries of different isomers of CsH, C6H-and C6H+ have been calculated. C6H and CsHare linear in their minimum energy forms. The cyclic singlet And the linear triplet of CaH+ are practically isoenergetic. Possibilities for the interpretation of a recent matrix isolati