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

Published in:	Heliyon
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
Subjects:	Organic chemistry Theoretical chemistry Pharmaceutical chemistry DFT Docking NLO
Online Access:	http://www.sciencedirect.com/science/article/pii/S2405844019364850