Descripción
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Relacionado con línea de investigación de simulación de materiales no metálicos y fluídos complejos: Nowadays, the available computational resources allow modern modeling methods to actually take up industrial challenges. As a result, chemical blue chips as well as SME are more and more concerned with the integration of these techniques in their R&D programs. Our research aims at setting up a complete predictive methodology of the colours produced by organic dyes, such as anthraquinoïdic, diazo, coumarin¿ derivatives, the interest for these compounds being supported by their abilities of covering the all visible electromagnetic spectrum with large extinction coefficients. This implies the understanding of the physical and chemical phenomena underlying the maximal absorption wavelength_ , including factors like the electronic delocalization and the auxochromic substitution, as well as solvation process, acidic conditions (protonation, tautomerism equilibrium) or packing effects. | |
Internacional
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Si |
Tipo de proyecto
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Proyectos y convenios en convocatorias públicas competitivas |
Entidad financiadora
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European Academy of Sciences (EAS) |
Nacionalidad Entidad
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Sin nacionalidad |
Tamaño de la entidad
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Desconocido |
Fecha concesión
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01/02/2006 |