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Description Calculated selectivity with the 3:1 extractant/lanthanide complex (all energies in kcal/mol)
Article Title: Quantum chemistry benchmarking of binding and selectivity for lanthanide extractants
Publication Title: International Journal of Quantum Chemistry -
Description Calculated aqueous binding free energies with 1:1 extractant/lanthanide complex (energies in kcal/mol)
Article Title: Quantum chemistry benchmarking of binding and selectivity for lanthanide extractants
Publication Title: International Journal of Quantum Chemistry -
Description Calculated aqueous binding free energies with 3:1 extractant/lanthanide complex (all energies in kcal/mol)
Article Title: Quantum chemistry benchmarking of binding and selectivity for lanthanide extractants
Publication Title: International Journal of Quantum Chemistry -
Description Calculated selectivity with the 1:1 extractant/lanthanide complex (all energies in kcal/mol)
Article Title: Quantum chemistry benchmarking of binding and selectivity for lanthanide extractants
Publication Title: International Journal of Quantum Chemistry