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Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations.
RSC Adv. 2023 Jun 14;13(26):18014-18024. doi: 10.1039/d3ra01717f. eCollection 2023 Jun 9.
RSC Adv. 2023.
PMID: 37323454
Free PMC article.
Temperature dependence of the dynamics and interfacial width in nanoconfined polymers via atomistic simulations.
Patsalidis N, Papamokos G, Floudas G, Harmandaris V.
Patsalidis N, et al.
J Chem Phys. 2024 Mar 14;160(10):104904. doi: 10.1063/5.0189652.
J Chem Phys. 2024.
PMID: 38482871
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