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Theoretical Study of Fe3+ and Ni2+ Ion Interactions in Ethaline as the Deep Eutectic Solvent and Water Solutions Using Molecular Dynamics, Quantum Theory of Atoms in Molecules, and Non-Covalent Interactions.

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Title: Theoretical Study of Fe3+ and Ni2+ Ion Interactions in Ethaline as the Deep Eutectic Solvent and Water Solutions Using Molecular Dynamics, Quantum Theory of Atoms in Molecules, and Non-Covalent Interactions.
Authors: Amorim L; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil., de Oliveira RV; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil., Bezerra LL; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil., Fechine PBA; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil.; Department of Metallurgical and Materials Engineering, Technology Center, Federal University of Ceará, Pici Campus, Block 729, 60440-554 Fortaleza, Ceará, Brazil., Correia AN; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil., de Lima-Neto P; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil., Monteiro NKV; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil.
Source: ACS omega [ACS Omega] 2025 Apr 16; Vol. 10 (16), pp. 16015-16030. Date of Electronic Publication: 2025 Apr 16 (Print Publication: 2025).
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101691658 Publication Model: eCollection Cited Medium: Internet ISSN: 2470-1343 (Electronic) Linking ISSN: 24701343 NLM ISO Abbreviation: ACS Omega Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:2470-1343
DOI:10.1021/acsomega.4c08992