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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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| Publicado no: | Molecules |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
MDPI
2010
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6257650/ https://ncbi.nlm.nih.gov/pubmed/20657373 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules15074490 |
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