Articles with "predictions reaction" as a keyword



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Ab initio predictions for the reaction mechanism and orbital topological properties of the formation of Neptunimine, Plutonimine, and its side products

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Published in 2020 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-020-04424-2

Abstract: Exploring the different mechanisms involved in the application of actinide is necessary to obtain a more comprehensive understanding of actinide science. In this study, the mechanisms of gas-phase Np and Pu atoms dissociating NH 3… read more here.

Keywords: neptunimine plutonimine; reaction; initio predictions; reaction mechanism ... See more keywords