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Compound-tunable embedding potential method: analysis of pseudopotentials for Yb in YbF2, YbF3, YbCl2 and YbCl3 crystals.
Phys Chem Chem Phys. 2022 Aug 17;24(32):19333-19345. doi: 10.1039/d2cp01738e.
Phys Chem Chem Phys. 2022.
PMID: 35942898
Compound-tunable embedding potential: which oxidation state of uranium and thorium as point defects in xenotime is favorable?
Lomachuk YV, Maltsev DA, Mosyagin NS, Skripnikov LV, Bogdanov RV, Titov AV.
Lomachuk YV, et al.
Phys Chem Chem Phys. 2020 Aug 24;22(32):17922-17931. doi: 10.1039/d0cp02277b.
Phys Chem Chem Phys. 2020.
PMID: 32744269
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