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Published in 2019 at "Journal of the Iranian Chemical Society"
DOI: 10.1007/s13738-018-01587-x
Abstract: The minimum energy pathway of the reaction Pu + O2 → PuO + O has been computed with density functional theory using different functionals. The detailed description of the reaction mechanisms offers a deep insight into the reaction. The results indicate…
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Keywords:
chemistry system;
chemistry;
system theoretical;
reaction ... See more keywords