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- W2951793671 abstract "The role of Ti, Fe, and Mn on H diffusion in MgH2 is studied by DFT calculations using the PW91 generalized gradient functional on a 71 atom 2 x 2 x 3 supercell of rutile-type MgH2 in which one Mg host atom is replaced by the dopant." @default.
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- W2951793671 date "2015-07-01" @default.
- W2951793671 modified "2023-09-27" @default.
- W2951793671 title "ChemInform Abstract: Hydrogen Diffusion in MgH2Doped with Ti, Mn and Fe." @default.
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- W2951793671 doi "https://doi.org/10.1002/chin.201529006" @default.
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