Interaction studies of nitrotoluene and toluidine molecules on novel square-octagon arsenene nanotubes based on DFT method
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DOI: 10.1016/j.molliq.2020.115260
Abstract: Abstract The harmful nature of the odorous pollutants – ortho-nitrotoluene and ortho-toluidine prompted us to consider them as chief molecules of the ongoing study. The density functional theory (DFT) approach is used to scrutinise in… read more here.
Keywords: octagon arsenene; chief molecules; fundamental nanotube; square octagon ... See more keywords