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Computational investigation of the effect of spin-crossing on the dissociation of chloro- and dichlorobenzene on the silicon (100) surface and the mechanical and electronic properties of cobalt doped zinc oxide
(2017-07)
The adsorption and dissociation of chlorobenzene and dichlorobenzene on the Si(100) surface was modeled using hydrogen terminated silicon clusters within the density functional theory framework. Using single dimer to much ...
Variable selection to improve classification in structure-activity studies and spectroscopic analysis
(2016-05)
A genetic algorithm for variable selection to improve classifications is explored and validated on a wide range of data. In one study, 147 tetralin and indan musks and nonmusks compiled from the literature for the purpose ...