Results 171 to 180 of about 50,934 (264)

Do More Open Economies Export Less Diversely in Brazilian Agribusiness?

open access: yesAgribusiness, EarlyView.
ABSTRACT This paper asks whether municipalities with a larger export‐to‐revenue ratio display a more concentrated bundle of exported goods in Brazilian agribusiness. Recent advances in export imputation for Brazilian municipalities allow for an analysis of the concentration profile of each municipality and its association with export openness.
Alan Leal, Michelle Marcia Viana Martins
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

open access: yesAIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim   +2 more
wiley   +1 more source

Estimation of the sample size to determine gas flux in finishing steers under confined conditions using alternative statistical approaches. [PDF]

open access: yesTransl Anim Sci
Vargas JJ   +10 more
europepmc   +1 more source

Hierarchically engineered electrocatalysts for durable oxygen reduction in zinc–air batteries

open access: yesAIChE Journal, EarlyView.
Abstract Rechargeable zinc–air batteries (ZABs) are promising energy storage systems but are limited by sluggish oxygen reduction reaction (ORR) kinetics at the air cathode. Herein, we report hierarchically engineered cobalt tetraaminophthalocyanine/MXene (CoPc/MXene) electrocatalysts prepared via cetyltrimethylammonium bromide‐mediated self‐assembly ...
Rui Guo   +6 more
wiley   +1 more source

Cavity control of multiferroic order in single-layer NiI<sub>2</sub>. [PDF]

open access: yesNPJ Comput Mater
Fan C   +7 more
europepmc   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
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

A Generalized Framework for Data‐Efficient and Extrapolative Materials Discovery for Gas Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces an iterative supervised machine learning framework for metal‐organic framework (MOF) discovery. The approach identifies over 97% of the best performing candidates while using less than 10% of available data. It generalizes across diverse MOF databases and gas separation scenarios.
Varad Daoo, Jayant K. Singh
wiley   +1 more source

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