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