Articles with "operativity site" as a keyword



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Hydracyanation of acetylene on carbon intercalated gold clusters: Co-operativity and site specificity

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Published in 2020 at "Chemical Physics Letters"

DOI: 10.1016/j.cplett.2020.138059

Abstract: Abstract The reaction between hydrogen cyanide and acetylene over carbon intercalated gold clusters forming the industrially important product vinyl iso-cyanide (H2C = CHNC) is investigated using density functional methods. The free energy of desorption of the product… read more here.

Keywords: acetylene carbon; carbon intercalated; site specificity; operativity site ... See more keywords