| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394867 | Computational and Theoretical Chemistry | 2012 | 10 Pages |
Abstract
⺠Binary clusters of tin and germanium up to five atoms are studied by DFT method. ⺠Geometries of most stable isomers of a maximum of five-atom clusters are optimized. ⺠Variations of average BE, HOMO-LUMO gaps, IP, EA with the cluster size are explored. ⺠Relative stabilities are investigated by reactivity descriptors. ⺠Fragmentation energies are calculated to study the relative strength of the bonds.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Pabitra Narayan Samanta, Kalyan Kumar Das,