Results 51 to 60 of about 2,642 (182)
A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons
Advanced Intelligent Discovery, Volume 2, Issue 5, October 2026.We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam +5 more
wiley +1 more source
Actinide Chalcogenide Compounds
, 2010 This chapter describes the preparation, structures, and physical properties of the known binary, ternary, and quaternary actinide chalcogenide compounds. In discussing structures we rely almost exclusively on X-ray or neutron diffraction results from single crystals rather than from powders.
Manos, Emmanouil +2 more
openaire +2 more sources
Hydrodynamic characterization of the redox chemistry of crown-encapsulated uranyl complexes
Frontiers in Nuclear EngineeringThe redox properties of actinide-containing species strongly influence their reactivity, speciation, and interfacial behavior, but the experimental quantification of the electrochemical characteristics of molecular actinide complexes in nonaqueous media ...
Alexander C. Ervin, James D. Blakemore
doaj +1 more source
Optical Basicity of Glasses: Review and Application in Nuclear Glass Formulation
International Journal of Applied Glass Science, Volume 17, Issue 4, October 2026.A self‐consistent set of optical basicity (OB) values was compiled and evaluated for 95 binary oxides using electronegativity, ionic–covalent, and optical‐property approaches, providing a robust basis for estimating the basicity of complex compounds and glasses.
John McCloy, John Bussey, Wyatt Kiff
wiley +1 more source
Hexadecapole deformations in actinide and trans-actinide nuclei
Physics Letters B, 1995 Abstract It is shown that hexadecapole deformations can be estimated from B(E2; 21+ → 01+) values alone. Application of this method in the actinide nuclei gives semi-quantitative β4 values for 250,252Cf. A comparison with theoretical values provides general insight into the relative roles of shell gaps at Z = 114 and 126 which are important for the ...
N.V. Zamfir +3 more
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International Journal of Applied Glass Science, Volume 17, Issue 4, October 2026.ABSTRACT Calcium aluminosilicate (CAS) glass was assessed for its ability to immobilize elements present in Plutonium‐Contaminated Materials (PCM) including metals (Fe and Cr), polyvinyl chloride (PVC), and Pu (investigated using the nonradioactive surrogates Ce and Hf).
D. Parkes +8 more
wiley +1 more source
Angewandte Chemie, Volume 138, Issue 37, 7 September 2026.N‐heterocyclic carbenes (NHCs) function as “molecular scissors,” cleaving otherwise inert Sb═Sb bonds in distibenes to generate monomeric, zwitterionic stibinide species. These intermediates act as efficient stibinidene transfer reagents, granting access to a rare terminal cobalt–stibinidene complex.
Daniel Meleschko +7 more
wiley +1 more source
Actinide-actinide bonding visualized by Hirshfeld atom refinement
ChemThe concept of covalency in chemical bonding is well established, but there are few methods to experimentally measure covalency and none is a panacea. Quantum crystallography X-ray charge density determination could be the most powerful method for experimentally visualizing chemical bonding, but its stringent requirements have prevented routine ...
Florian Meurer +9 more
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Geosciences, 2019 Pyrite/arsenopyrite (Py-AsPy), galena (PbS), and sphalerite (ZnS) concentrates from the flotation plants of Olympias and Stratoni (Kassandra mines, Chalkidiki, N.
Evangelos Tzamos +8 more
doaj +1 more source
DFT Investigations of the Magnetic Properties of Actinide Complexes
Magnetochemistry, 2019 Over the past 25 years, magnetic actinide complexes have been the object of considerable attention, not only at the experimental level, but also at the theoretical one.
Lotfi Belkhiri +2 more
doaj +1 more source