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DFT simulation

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2 results in Keywords: DFT simulation

Physical Chemistry

The role of helicity in PFAS resistance to degradation: DFT simulation of electron capture and defluorination

Matt McTaggart, Cecile Malardier-Jugroot

Version 1 posted 16 October 2023

300

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Materials Science

Emergence of Anionic Counterparts of Divalent Metal Salts as the Fine-Tuners of Alginate Hydrogel Properties for Tissue Engineering and Drug Delivery Applications

Subhasis Dash, Pavan Gutti, Birendra Behera, Debasish Mishra

Version 3 posted 03 August 2023

342

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