Results 241 to 250 of about 268,489 (347)
Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley +1 more source
The return of raptors to Scotland's skies: Investigating the diets of reintroduced red kites and white-tailed eagles using stable isotopes. [PDF]
Waterman J +5 more
europepmc +1 more source
Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion
This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley +1 more source
Trophic Ecology of the Pyjama Shark Poroderma africanum (Gmelin, 1789) Elucidated by Stable Isotopes. [PDF]
Caracausi L +4 more
europepmc +1 more source
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy +8 more
wiley +1 more source
Three centuries of biogeochemical change in a temperate embayment as revealed by sediment core stable isotopes, radiometric dating, and historical ecology. [PDF]
Balint SJ +7 more
europepmc +1 more source

