| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5417302 | Journal of Molecular Structure: THEOCHEM | 2009 | 10 Pages |
Abstract
Geometries of several all-metal clusters with Zn32â as the base are optimized within a B3LYP/6-311+G(d) level of theory. It is analyzed that the stability, bonding, reactivity and aromaticity patterns of such clusters often change drastically in the presence of counter cations like Li+, Na+ or K+ and/or through the substitution of Zn32â units by Be5â or C5H5â rings.
Related Topics
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Physical and Theoretical Chemistry
Authors
A. Chakraborty, S. Giri, P.K. Chattaraj,