Results 191 to 200 of about 594,021 (280)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

open access: yesAdvanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray   +3 more
wiley   +1 more source

Fluorescence Quenching Effects of Carbon Shells on Eu<sub>2</sub>O<sub>3</sub> Nanoparticles. [PDF]

open access: yesInt J Mol Sci
Al Saidi AKA   +13 more
europepmc   +1 more source

The Campbell Collaboration—C2 [PDF]

open access: yesBJOG: An International Journal of Obstetrics and Gynaecology, 2003
openaire   +2 more sources

Synergy of Pd Clusters and TiO2 {101} for Photocatalytic Nonoxidative Coupling of Methane

open access: yesAdvanced Science, EarlyView.
This study presents photocatalytic nonoxidative coupling of methane over cal‐Pd0.05/TiO2{101}, achieving near 100% selectivity and long‐term stability under mild flow conditions through synergistic single atoms and clusters catalysis. ABSTRACT Photocatalytic nonoxidative coupling of methane (NOCM) offers a sustainable route to valorize CH4 into C2 ...
Jianlong Yang   +2 more
wiley   +1 more source

Diverse Landscape of Tunable Magnetic, Topological, and Ferroelectric States in 2D Ti3Se3Te2

open access: yesAdvanced Science, EarlyView.
Ti3Se3Te2 emerges as a multifunctional 2D van der Waals platform. The monolayer is a dynamically stable ferromagnetic quantum anomalous Hall insulator. In bilayers, two stacking configurations yield distinct phases: AA‐stacking hosts an altermagnetic quantum spin Hall insulator, while AA′‐stacking exhibits three‐state in‐plane ferroelectricity ...
Jiangtao Yu   +5 more
wiley   +1 more source

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

open access: yesAdvanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu   +5 more
wiley   +1 more source

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