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DFT study of the effect of substituents on the absorption and emission spectra of Indigo

BACKGROUND: Theoretical analyses of the indigo dye molecule and its derivatives with Chlorine (Cl), Sulfur (S), Selenium (Se) and Bromine (Br) substituents, as well as an analysis of the Hemi-Indigo molecule, were performed using the Gaussian 03 software package. RESULTS: Calculations were performed...

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Hlavní autoři: Cervantes-Navarro, Francisco, Glossman-Mitnik, Daniel
Médium: Artigo
Jazyk:Inglês
Vydáno: BioMed Central 2012
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3472326/
https://ncbi.nlm.nih.gov/pubmed/22809100
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1752-153X-6-70
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