Dye incorporation in polyphosphate gels: synthesis and theoretical calculations

Dye incorporation in polyphosphate gels: synthesis and theoretical calculations

In this work we described theoretical calculations on the electronic structure and optical properties of the dyes crystal violet and malachite green based in semiempirical methods (Parametric Method 3 and Intermediate Neglect of Differential Overlap / Spectroscopic - Configuration Interaction) and t...

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Bibliographic Details
Main Authors: Jordan Del Nero, André Galembeck, Sidicleia Bezerra Costa Silva, José Augusto Pereira da Siva
Format: Article
Language:English
Published: Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol) 2003-06-01
Series:Materials Research
Subjects:
sol-gel
electronic structure
theoretical and experimental absorption spectra
semiempirical
malachite green
crystal violet
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392003000300006

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http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392003000300006

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