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Radium
Barium
Binding energy
Chelator
Energy decomposition analysis
Thermodynamics
Abbreviations1,2-HOPO2-Hydroxypyridine 1-oxide
2,3-HOPO3-Hydroxy-2-pyridone
3,4-HOPO3-Hydroxy-4-pyridone
ADFAmsterdam Density Functional
COSMOConductor like Screening Model
DFTDensity Functional Theory
EDAEnergy Decomposition Analysis
EMAEuropean Medicines Agency
FDAFood and Drug Administration
HSABHard and Soft Acids and Bases
NMRNuclear Magnetic Resonance
NOCVNatural Orbitals for Chemical Valence
PBEPerdew-Burke-Ernzerhof
SPECTSingle Photon Emission Computed Tomography
TATTargeted Alpha Therapy
TSP3-(Trimethylsilyl)propionic acid sodium salt
TZ2PTriple-ζ with two sets of polarization functions
ZORAZeroth Order Regular Approximation
Data availabilityData will be made available on request.
© 2024 The Authors. Published by Elsevier Inc.
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