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Published in 2017 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.24814
Abstract: A comprehensive density functional theory study on the dissociative and associative mechanisms of Grubbs first and second generation olefin metathesis catalysis reveals that ruthenacyclobutane intermediate (RuCB) observed in the Chauvin mechanism is not unique as…
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Keywords:
bond;
stretch isomerism;
bond stretch;
rucb ... See more keywords