Uma metodologia para o projeto teórico de conversores moleculares de luz A methodology for the theoretical design of light conversion molecular devices

<abstract language="eng">Recentlly, we have proposed the representation of lanthanides within AM1 as sparkles for the purpose of obtaing ground state geometries of their complexes. We tested our quantum chemical sparkle model (SMLC/AM1) for the prediction of the crystallographic stru...

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Bibliographic Details

Published in:	Química Nova
Main Authors:	Antônio V. M. de Andrade, Nivan B. da Costa Jr., Alfredo M. Simas, Ricardo L. Longo, Oscar L. Malta, Gilberto F. de Sá
Format:	Article
Language:	English
Published:	Sociedade Brasileira de Química 1998-02-01
Subjects:	sparkle model lanthanide complexes eletronic spectra
Online Access:	http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40421998000100009