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Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2389-7
Abstract: The hydrolysis reactions of methane and halomethanes have been systematically investigated using density functional theory. These reactions may occur via a metathesis mechanism and a direct-elimination mechanism, metathesis being the predominant pathway with the formation…
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Keywords:
computational study;
hydrolysis;
study hydrolysis;
h2o molecules ... See more keywords