PROPRIEDADES ÓPTICAS NÃO LINEARES DE CLUSTERS DO BC5
The first (β) and second (γ) hyperpolarizabilities of BC5 clusters were investigated through the PM6, PM3, and MNDO-d semiempirical Hamiltonians. The Im2, Imm2, P3m1, and P phases that are pointed out in literature as likely candidates of the BC5 superhard diamondlike real structure were investigate...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Sociedade Brasileira de Química
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| Series: | Química Nova |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422016000700807&lng=en&tlng=en |