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Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.08.031
Abstract: Abstract Three mechanistic pathways were explored theoretically to study the electronic features and thermodynamics behind the initiation of silica-grafted molybdenum and tungsten oxide metathesis pre-catalysts in light olefins (ethylene and propylene) to form Schrock-type carbene…
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Keywords:
carbene;
schrock type;
oxide metathesis;
initiation ... See more keywords