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

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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Bibliographic Details
Main Authors: Y. Shyma Mary, Y. Sheena Mary, K.S. Resmi, Veena S. Kumar, Renjith Thomas, B. Sureshkumar
Format: Article
Language:English
Published: Elsevier 2019-11-01
Series:Heliyon
Subjects:
Organic chemistry
Theoretical chemistry
Pharmaceutical chemistry
DFT
Docking
NLO
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844019364850

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