Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals [PDF]
, 2019 Graph networks are a new machine learning (ML) paradigm that supports both relational reasoning and combinatorial generalization. Here, we develop universal MatErials Graph Network (MEGNet) models for accurate property prediction in both molecules and ...
Chen, Chi +4 more
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Dinuclear Lanthanide (III) coordination polymers in a domino reaction [PDF]
, 2015 A systematic study was performed to further optimise the catalytic room-temperature synthesis of trans-4,5- diaminocyclopent-2-enones from 2-furaldehyde and primary or secondary amines under a non-inert atmosphere. For this purpose, a series of dinuclear
Abdul-Sada, Alaa +5 more
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Responsible sourcing of critical metals [PDF]
, 2017 This is the author accepted manuscript. The final version is available from Mineralogical Society of America via the DOI in this recordMost critical raw materials, such as the rare earth elements (REE), are starting products in long manufacturing supply ...
Alain Rollat +15 more
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Pushing the Boundary of Covalency in Lanthanoid-Tellurium Bonds: Insights from the Synthesis, Molecular and Electronic Structures of Low-Coordinate, Monomeric Europium(II) and Ytterbium(II) Tellurolates [PDF]
, 2023 Owing to the strict hard/soft dichotomy between the lanthanoids and tellurium atoms, and the strong affinity of lanthanoid ions for high coordination numbers, low-coordinate, monomeric lanthanoid tellurolate complexes have remained elusive as compared to
Butcher, Ray J. +7 more
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Muon spin spectroscopy: magnetism, soft matter and the bridge between the two [PDF]
, 2014 LS would like to acknowledge financial support from the Swiss National Science Foundation, grant numbers PBFRP2-138632 and PBFRP2-142820. AD would like to acknowledge financial support from the UK Engineering and Physical Sciences Research Council, grant
Drew, AJ, Nuccio, L, Schulz, L
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A density-functional theory approach to the existence and stability of molybdenum and tungsten sesquioxide polymorphs [PDF]
, 2016 The sesquioxides of molybdenum and tungsten have been reported as thin films or on surfaces as early as 1971, but the preparation of bulk materials and their crystal structures are still unknown up to the present day.
Becker, Nils +6 more
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Rare earths, zirconium and hafnium distribution in coastal areas: The example of Sabella spallanzanii (Gmelin, 1791) [PDF]
, 2017 The Zr, Hf, Y and lanthanide (REE) distribution in biological tissues of Sabella spallanzanii and Styela plicata species collected from two harbours from the northern Sicily is studied for providing information regarding the Zr, Hf and REE uptake from ...
Cammarata, I. +3 more
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Properties of RRe2Al10 (R=Y, Gd–Lu) crystals [PDF]
, 2009 Large single crystals of rare-earth rhenium aluminide RRe2Al10, with R=Y, and Gd–Lu were grown out of an Al-rich solution. Single crystal x-ray diffraction data confirmed the orthorhombic Cmcm structure for all members: R=Gd-Dy with TbRe2Al10-structure ...
Bud'ko, Sergey +3 more
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Explorations into the rare earth chemistry of biphenolates and superbulky cyclopentadienyl ligands, and a study of C-F activation by rare earth metals [PDF]
, 2022 Angus Shephard studied a range of alternative synthetic methods for accessing valuable rare earth metal complexes. He explored new and previously unused methods of synthesising rare earth biphenolate complexes, superbulky lanthanoid metallocene complexes,
Shephard, Angus C. G.
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Materials chemistry under high pressures - Some recent aspects [PDF]
, 2006 Among the thermodynamic parameters governing the preparation of novel materials, temperature (T) and pressure (p) play an important role. In Materials Chemistry, the synthesis of materials needs energy in order to enhance the diffusion of atoms to the ...
Alonso, Jose A. +5 more
core +3 more sources