Ab Initio Density Functional Theory Calculation: Americium Hydrolysis Mechanism

The hydrolysis mechanism of americium was calculated using density functional theory, and the detailed microscopic reaction mechanism was obtained. The results show that americium reacts with water along the octet state to produce oxides and H<sub>2</sub>, and that this reaction is exoth...

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Bibliographic Details
Main Authors: Na Shan, Tao Gao
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/17/3/572