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• W4385500940 abstract "Free energy sampling, deep potential molecular dynamics, and characterizations provide insights into the impact of epoxide-functionalization on the hydrogen bonding and mobility of poly(ethylenimine), a promising CO2 sorbent. These findings rationalize the anti-degradation effects of epoxide functionalization and open up new avenues for designing more durable CO2 sorbents." @default.
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• W4385500940 date "2023-01-01" @default.
• W4385500940 modified "2023-09-27" @default.
• W4385500940 title "Enhanced Hydrogen Bonding via Epoxide- functionalization Restricts Mobility in Poly(ethylenimine) for CO₂ Capture" @default.
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• W4385500940 doi "https://doi.org/10.1039/d3cc02702c" @default.
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