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Phosphinoylated calixarenes feature high coordination ability toward f elements and a great potentiality toward actinide/rare earth separation. Here, we report three characteristic properties of a tetra-phosphinoylated p-tert-butylcalix[4]arene, B(4)bL(4) ...
Homonuclear helicates with rare-earth-metal(III) ions or heteronuclear derivatives with rare-earth-metal and aluminium or zinc centres are obtained in alkali-metal-templated selfassembly processes from isobutenylidene- bridged homoditopic bis(2-carb-Gamido ...
We use the multiscale simulation approach, which combines the first-principles calculations and grand canonical Monte Carlo simulations, to comprehensively study the doping of a series of alkali (Li, Na, and K), alkaline-earth (Be, Mg, and Ca), and transit ...
Experimental uncertainties concerning the coordination mode of trivalent plutonium in concentrated LiCl have led us to theoretically evaluate the f-f transitions of a series of rare earth aquo and chloro complexes. The calculation of Pr(III), U(III), Np(II ...
High-resolution x-ray absorption measurements reveal a rare-earth-dependent splitting of the Ni K edge in the insulating, charge-disproportionated state of the whole RNiO3 perovskite family. The splitting is five times larger for LuNiO3 [2.5(1) eV] than fo ...
Hybrid choice models integrate many types of discrete choice modeling methods, including latent classes and latent variables, in order to capture concepts such as perceptions, attitudes, preferences, and motivatio (Ben-Akiva et al., 2002). Although they pr ...
The coordination ability of the hexaphosphinoylated p-tert-butylcalix[6]arene B6bL6 toward actinides is established, as well as its good separation ability of the actinide ions UO22+ and Th(IV) over trivalent rare earths such as La(III), Eu(III) ...
The compound Ce12.60Cd58.68(2) is a metrically commensurate representative of the incommensurately modulated phase Ce13Cd57+δ. It is most likely a lock-in phase. The structure, which was solved using seeding of the modulation from thos ...
Crystal clear: After two decades of controversy the elusive skew-boat conformation of L-iduronic acid (see picture) was finally ascertained at atomic resolution in a synthetic, substituted disaccharide. This highly flexible compound crystallizes in two dim ...
