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Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.08.037
Abstract: Abstract The dynamics of reactions of HCl at growing Si(100) surfaces was investigated through computational methods, using clusters of different sizes and shapes. The analysis was conducted through Gaussian09 at the B3LYP/6-31G(d,p) level. It was…
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Keywords:
dynamics reactions;
surface;
moiety;
sicl2 moiety ... See more keywords