Results 301 to 310 of about 64,463 (382)

Direct derivation of anisotropic atomic displacement parameters from molecular dynamics simulations in extended solids with substitutional disorder using a neural network potential

open access: yesActa Crystallographica Section A, Volume 81, Issue 4, Page 279-293, July 2025.
Direct derivation of anisotropic atomic displacement parameters is possible using molecular dynamics simulations of supercells at finite temperature.Atomic displacement parameters (ADPs) are crystallographic information describing the statistical distribution of atoms around an atom site.
Yoyo Hinuma
wiley   +1 more source

Photocatalytic Hydrophosphination Using Calcium Precatalysts

open access: yesChemistry – A European Journal, Volume 31, Issue 36, June 26, 2025.
Calcium compounds are competent photocatalysts for hydrophosphination. Returning to the compounds reported by Barrett and Hill, visible light irradiation at ambient temperature activates simple calcium derivatives comparable to thermal catalysis. Ancillary ligands are key to radical versus nonradical reactivity under these conditions.
Moniruzzaman Moniruzzaman   +2 more
wiley   +1 more source

Catalytic Deoxygenation of Palm Oil Over Iron Phosphide Supported on Nanoporous Carbon Derived from Vinasse Waste for Green Diesel Production. [PDF]

open access: yesACS Omega
Nenyoo P   +6 more
europepmc   +1 more source

Cis‐Chelating Diphosphanes for Intracavity Nickel(II)‐Catalyzed Ethylene Oligomerization

open access: yesChemistry – A European Journal, Volume 31, Issue 34, June 17, 2025.
Four cavity‐shaped diphosphanes have been synthesized from both α‐ and β‐cyclodextrins. The metal‐confining properties of these ligands were exploited in nickel‐catalyzed ethylene oligomerization. . Abstract Four cis‐chelating diphosphanes derived from cyclodextrins (CDs), each featuring a distinct intracavity environment, compel NiII or PdII metal ...
Yang Li   +11 more
wiley   +1 more source

Electrocatalytic CN Coupling: Advances in Urea Synthesis and Opportunities for Alternative Products

open access: yesChemSusChem, Volume 18, Issue 12, June 17, 2025.
This review explores electrocatalytic urea synthesis via carbon–nitrogen (CN) coupling from CO2 and nitrogen species, specifically nitrate, nitrite, nitric oxide, and nitrogen gas. It discusses recent discoveries in catalyst design, reaction pathways, and detection methods. Future outlooks on industrial applications, alternative CN coupling products,
Parker Ballard‐Kyle   +2 more
wiley   +1 more source

Enhanced Alkaline Water Electrolysis with PrBa0.5Sr0.5Co1.5Fe0.5O5+δ‐IrO2 Composite: Synergistic Catalytic Performance via Electronic Structure Modulation

open access: yesChemElectroChem, Volume 12, Issue 12, June 10, 2025.
This study highlights the innovative PrBa0.5Sr0.5Co1.5Fe0.5O5+δ‐IrO2 composite catalyst synthesized via high‐energy ball milling, showcasing exceptional oxygen evolution reaction performance with low overpotential and remarkable stability. Synergistic effects, enhanced surface area, and optimized electronic structures provide valuable insights for ...
Zixuan Fan   +6 more
wiley   +1 more source

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