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Natural Carotenoids as Nanomaterial Precursors for Molecular Photovoltaics: A Computational DFT Study

In this work several natural carotenoids were studied as potential nanomaterial precursors for molecular photovoltaics. M05-2X/6-31+G(d,p) level of theory calculations were used to obtain their molecular structures, as well as to predict the infrared (IR) and ultraviolet (UV-Vis) spectra, the dipole...

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Bibliografiske detaljer
Main Authors: Teresita Ruiz-Anchondo, Norma Flores-Holguín, Daniel Glossman-Mitnik
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2010-06-01
Serier:Molecules
Fag:
pKa
Online adgang:http://www.mdpi.com/1420-3049/15/7/4490/
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