Modeling CO2 Adsorption in Flexible MOFs with Open Metal Sites via Fragment-Based Neural Network Potentials

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posted on 2025-08-01, 12:13 authored by Omer Tayfuroglu, Seda Keskin

Modeling CO2 Adsorption in Flexible MOFs with Open Metal Sites via Fragment-Based Neural Network Potentials

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DOI - Is supplement to <strong>Modeling CO</strong><strong><sub>2</sub></strong><strong> Adsorption in Flexible MOFs with Open Metal Sites via Fragment-Based Neural Network Potentials</strong>

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Chemical sciences

Keywords

MOFs OMS machine learning potentials DFT flexible framework

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