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Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00960
Abstract: An ontology for capturing both data and the semantics of chemical kinetic reaction mechanisms has been developed. Such mechanisms can be applied to simulate and understand the behaviour of chemical processes, for example, the emission…
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Keywords:
methodology;
ontology;
kinetic reaction;
reaction mechanisms ... See more keywords