Results 171 to 180 of about 4,725 (242)

Silicon allotropes by large‐volume high‐pressure techniques: crystal growth mechanisms, phase diagrams and hexagonal nanostructured Si‐6H by in situ X‐ray diffraction and computational methods

open access: yesActa Crystallographica Section B, Volume 82, Issue 3, Page 280-298, June 2026.
In situ X‐ray diffraction is used for exploring Si crystallography and for studying phase‐transformation mechanisms in elemental Si and Na–Si systems. We present original results of hexagonal silicon, Si‐6H and a critical analysis of the past‐decade discoveries of silicon Si‐4H and Si24 using large‐volume high‐pressure techniques.Metastable allotropes ...
Alexandre Courac, Yann Le Godec
wiley   +1 more source

Decoupling slab gliding and lattice contraction in Na layered oxides to enable high-voltage Na-ion batteries. [PDF]

open access: yesNat Commun
Shi Q   +19 more
europepmc   +1 more source

Structural insights into urocanate reductase using room‐temperature X‐ray crystallography

open access: yesActa Crystallographica Section D, Volume 82, Issue 6, Page 603-614, June 2026.
The active‐site dynamics of the microbial enzyme urocanate reductase were revealed by room‐temperature X‐ray crystallography.Urocanate reductase (UrdA) is a bacterial enzyme that converts urocanic acid to imidazole propionate. Its catalytic residue Arg411 undergoes a large conformational change in the substrate‐bound versus product‐bound states.
Swati Aggarwal   +4 more
wiley   +1 more source

The nucleardatapy toolkit for simple access to experimental nuclear data, astrophysical observations, and theoretical predictions. [PDF]

open access: yesEur Phys J A Hadron Nucl
Margueron J   +12 more
europepmc   +1 more source

Neutron Scattering Evidence for a Model of Dynamic Clustering in Molten Triacylglycerols

open access: yesJournal of Food Process Engineering, Volume 49, Issue 6, June 2026.
Number of molecules per cluster as a function of temperature. The error bars combine uncertainties from the data and from the fit to the peak functions. (A) from D5PPP; (B) from PPP. The dotted line indicates the model predictive interval and the dash‐dot line the observation prediction interval, both at 95% confidence.
E. Pulatsu   +5 more
wiley   +1 more source

Systematic Investigation of Classical Molecular Dynamics Models for Ionic Liquid‐Based Electrolytes at Electrode Interfaces

open access: yesChemPhysChem, Volume 27, Issue 10, 27 May 2026.
This work systematically compares classical molecular dynamics (MD) simulation approaches, including electrode models and electrolyte force‐field polarisability, for predicting the interfacial behaviour of ionic liquid (IL)‐based electrolytes in response to electrode polarisation. Molecular dynamics (MD) simulations are widely used to investigate ionic
Sreehari Batni Ravindranath   +4 more
wiley   +1 more source

Evaluating the Topological Features of Monomeric and Trimeric TRAF2-C: A Multi-Disciplinary Approach. [PDF]

open access: yesBiomolecules
Erba F   +7 more
europepmc   +1 more source

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