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Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112795
Abstract: Abstract Hydrogen abstraction reaction from allylic sites by HO2 radical is important in the ignition chemistry of alkenes. A systematic study with a series of C4-C7 alkenes as reactants is performed in present work to…
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Keywords:
chemistry;
hydrogen abstraction;
rate rules;
abstraction reaction ... See more keywords