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Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues

The structural, spectroscopic various physico-chemical and biological characteristics of the organic molecule benzil (BZL) and derivatives, 1,2-bis(4-methylphneyl)-1,2-ethanedione (DMB), 4,4′-difluorobenzil (DFB), 4,4′-dichlorobenzil (DCB) and 4,4′-dibromobenzil (DBB) have been studied by various co...

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Detalhes bibliográficos
Publicado no:Heliyon
Main Authors: Mary, Y. Shyma, Mary, Y. Sheena, Resmi, K.S., Kumar, Veena S., Thomas, Renjith, Sureshkumar, B.
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6861576/
https://ncbi.nlm.nih.gov/pubmed/31763480
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2019.e02825
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