Results 291 to 300 of about 302,460 (378)

Crystallographic, electronic and vibrational properties of 2D silicate monolayers

open access: yesJournal of Applied Crystallography, Volume 58, Issue 2, Page 349-362, April 2025.
The present work reports a density functional theory investigation of the structural, electronic, Raman and infrared properties of the (001) monolayer of phlogopite [K(Mg,Fe)3Si3AlO10(OH)2, with Mg/Fe ratio ≥ 2] and how they change with different Fe2+/Mg2+ substitutions in the octahedral sheet.Phyllosilicates are promising materials for optoelectronic ...
Gianfranco Ulian, Giovanni Valdrè
wiley   +1 more source

Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival

open access: yesJournal of Applied Crystallography, EarlyView.
The synthesis and quantum crystallographic analysis of the chemical bonding within WYLID, 2‐(dimethyl‐λ4‐sulfaneylidene)‐[1,2′‐biindenylidene]‐1′,3,3′(2H)‐trione, a condensation product of YLID which is the most widely used calibrant for laboratory diffractometers, is presented.
Florian Meurer   +6 more
wiley   +1 more source

Superimposed Wavefront Imaging of Diffraction-enhanced X-rays: sparsity-aware CT reconstruction from limited-view projections. [PDF]

open access: yesInt J Comput Assist Radiol Surg
Sunaguchi N   +9 more
europepmc   +1 more source

Forward‐model‐based grain reconstruction to improve the tolerance of diffraction contrast tomography for increased sample deformation

open access: yesJournal of Applied Crystallography, EarlyView.
A novel forward‐model‐based reconstruction method has been developed for diffraction contrast tomography and has shown great promise in increasing the tolerance of this technique for increased sample deformation. This method is suitable for multi‐phase reconstruction under both box‐beam and line‐beam acquisition geometries and can reconstruct ...
Haixing Fang, Wolfgang Ludwig
wiley   +1 more source

Multipolar model and Hirshfeld atom refinement of tetraaquabis(hydrogenmaleato)iron(II)

open access: yesActa Crystallographica Section B, EarlyView.
Multipolar model and Hirshfeld atom refinement are conducted on tetraaquabis(hydrogenmaleato)iron(II) based on a high‐resolution X‐ray diffraction experiment. Topological analysis is performed on both models. The study evaluates these models by comparing their effectiveness in determining bond lengths, anisotropic displacement parameters, electron ...
Hellen Ferreira Guimarães   +1 more
wiley   +1 more source

Effects of Anthropogenic Introduction of Substrates on Egg Camouflage and Nesting Success in Ground‐Nesting Birds

open access: yesAnimal Conservation, EarlyView.
We show that the introduction of artificial substrates, in this case, dredged materials to act as nesting substrate for ground‐nesting birds, reduced the effectiveness of egg camouflage for Kentish plovers compared to natural substrates. However, nesting success was not impacted, likely because the community of nest predators was diverse and used a ...
Gustavo Liñán‐Cembrano   +5 more
wiley   +1 more source

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