Journal Article EXAFS XANES local coordination structure uranyl speciation Carbon dioxide emissions forecasting DFT calculations Least squares support vector machine Nd2Zr2O7 Null importance Random forest Research Support, Non-U.S. Gov't Sparrow search algorithm X-ray absorption near-edge structure X-ray absorption spectroscopy actinide immobilization amidoxime ligand atomic hydrogen extended X-ray absorption fine structure fluoride salts in situ XAFS medium-range-ordered structure molecular dynamics simulations molten salt method multiple-scattering calculation oxygen vacancies photocatalysts red TiO2 transport properties visible light