Structures and energetics of Si3N2 clusters
Mixed clusters of silicon and nitrogen with formula Si3N2 have been investigated at both SCF and MP2 levels of theory. Of eleven stationary points found below 80 kcal/mol, eight correspond to local minima (LM); of these, five are singlet states. Of the triplets, three LM and one transition state (TS...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2001-01-01
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| Series: | Journal of the Brazilian Chemical Society |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532001000100014 |