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Article
Density functional study of Pu2C3
The structural, magnetic, electronic, vibrational, thermodynamic and elastic properties of plutonium sesquicarbide (Pu2C3) are investigated based on density functional theory. The use of the Hubbard term to desc...
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Article
The structural, electronic, and optical properties of NpO2 and PuO2: a hybrid density-functional-theory study
The structural, electronic, and optical properties of NpO2 and PuO2 have been investigated by means of the hybrid density functional theory (HDFT) using the full-potential linearized augmented plane (FP-LAPW) wav...
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Article
Thermodynamics of Sc-H and Sc-D Systems: Experimental and Theoretical Studies
The pressure composition isotherms (p-c-T) of Sc-H and Sc-D systems have been experimentally measured using the PVT method in the same work. The enthalpies and entropies are extracted from van’t Hoff plots and co...