Reaction of Np atom with H2O in the gas phase: reaction mechanisms and ab initio molecular dynamics study
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Summary
The gas-phase reaction of an Np atom with H2O was investigated using density functional theory and ab initio molecular dynamics and it was found that the branching ratio of the title reaction depends on the initial kinetic energy along the transition vector.
- Type
- article
- Published
- 2014-10-07
- Cited by
- 3
- References
- 43
- OpenAlex
- https://openalex.org/W25287763
- Semantic Scholar
- https://api.semanticscholar.org/CorpusID:5412460
Keywords
Political science, Economics
References
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- Gas-Phase Methane Activation by the Ac+−Pu+ Ions: Theoretical Insights into the Role of 5f Electrons/Orbitals in Early Actinide Chemistry
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- Mechanistic aspects of the activation of C–H bond in C2H6 by Th atom: bonding analysis and reaction coefficients
- Can water continuously oxidize the PuO molecule? Mechanisms, topological analysis and rate constant calculations
- Condicionantes de la innovación en las empresas andaluzas.
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