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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
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  Data: Theoretical Study of Fe<superscript>3+</superscript> and Ni<superscript>2+</superscript> 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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  Data: <searchLink fieldCode="AU" term="%22Amorim+L%22">Amorim L</searchLink>; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil.<br /><searchLink fieldCode="AU" term="%22de+Oliveira+RV%22">de Oliveira RV</searchLink>; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil.<br /><searchLink fieldCode="AU" term="%22Bezerra+LL%22">Bezerra LL</searchLink>; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil.<br /><searchLink fieldCode="AU" term="%22Fechine+PBA%22">Fechine PBA</searchLink>; 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.<br /><searchLink fieldCode="AU" term="%22Correia+AN%22">Correia AN</searchLink>; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil.<br /><searchLink fieldCode="AU" term="%22de+Lima-Neto+P%22">de Lima-Neto P</searchLink>; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil.<br /><searchLink fieldCode="AU" term="%22Monteiro+NKV%22">Monteiro NKV</searchLink>; Department of Analytical Chemistry and Physical Chemistry, Science Center, Federal University of Ceará, Pici Campus, Block 940, 60440-900 Fortaleza, Ceará, Brazil.
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  Data: <searchLink fieldCode="JN" term="%22101691658%22">ACS omega</searchLink> [ACS Omega] 2025 Apr 16; Vol. 10 (16), pp. 16015-16030. <i>Date of Electronic Publication: </i>2025 Apr 16 (<i>Print Publication: </i>2025).
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101691658 <i>Publication Model: </i>eCollection <i>Cited Medium: </i>Internet <i>ISSN: </i>2470-1343 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2224701343%22">24701343 </searchLink><i>NLM ISO Abbreviation: </i>ACS Omega <i>Subsets: </i>PubMed not MEDLINE
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              Text: 2025 Apr 16
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