Results 201 to 210 of about 55,151 (279)

A [3]Rotaxane Containing {Ti7Ga} Rings Linking CuII: Synthesis, Structure, and Spectroscopic Studies

open access: yesChemistry – A European Journal, EarlyView.
Extended hybrid inorganic‐organic [2]‐ and [3]‐rotaxanes are reported based on heterometallic rings with threads that link CuII complexes; the crystal structures are reported, and the solution behavior is investigated by double electron electron resonance spectroscopy methods.
Selena J. Lockyer   +7 more
wiley   +1 more source

A High Energy Barrier DyIII2 Single‐Molecule Magnet Supported by a Bulky, Anionic N–O Bridging Ligand

open access: yesChemistry – A European Journal, EarlyView.
Complex [Dy2(hynad)2(dbm)4] was prepared by the employment of the anionic N–O‐based bridging and chelating N‐hydroxy‐1,8‐naphthalimide ligand, featuring a {Dy2(µ‐OR)2}4+ core and exhibiting zero‐field SMM behavior with a Ueff value of 171 K and double‐S‐shaped hysteresis loops, open up to 3.5 K.
Alexandros S. Armenis   +6 more
wiley   +1 more source

Molecular Dynamics Simulations of γ‐Belite(010)–Water Interfaces With High‐Dimensional Neural Network Potentials

open access: yesChemistry – A European Journal, EarlyView.
Several γ$\gamma$‐belite(010)–water interfaces have been studied by molecular dynamics simulations using a high‐dimensional neural network potential. The structure and reactivity of interfacial water have been analyzed and two types of surface defects could be identified, which indicate the possible existence of a wide range of surface structures ...
Bernadeta Prus, Jörg Behler
wiley   +1 more source

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

open access: yesChemistry – A European Journal, EarlyView.
Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer   +3 more
wiley   +1 more source

Localized statistics decoding for quantum low-density parity-check codes. [PDF]

open access: yesNat Commun
Hillmann T   +5 more
europepmc   +1 more source

Magnetic Supraparticles as Identifiers in Single‐Layer Lithium‐Ion Battery Pouch Cells

open access: yesChemSusChem, Volume 18, Issue 6, March 15, 2025.
As an alternative to externally applied optical identifiers, magnetic supraparticles (SPs) can be used for contactless identification of lithium‐ion battery pouch cells via magnetic particle spectroscopy. This study validated the integration and detection of magnetic markers in three model scenarios.
Sara Li Deuso   +8 more
wiley   +1 more source

Home - About - Disclaimer - Privacy