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Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics.

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Title: Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics.
Authors: Walker T; Bredesen Center for Interdisciplinary Research and Graduate Education, UT-Oak Ridge Innovation Institute, University of Tennessee at Knoxville, Knoxville, TN 37996, USA., Yuan K; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. sr4@ornl.gov., Adapa S; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. sr4@ornl.gov., Stack AG; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. sr4@ornl.gov., Irle S; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. irles@ornl.gov.
Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2026 Jan 21; Vol. 28 (3), pp. 2141-2151. Date of Electronic Publication: 2026 Jan 21.
Publication Type: Journal Article
Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
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  Data: Mechanistic insights into rubidium ion adsorption at the quartz (101) surface from quantum chemical metadynamics.
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  Data: <searchLink fieldCode="AU" term="%22Walker+T%22">Walker T</searchLink>; Bredesen Center for Interdisciplinary Research and Graduate Education, UT-Oak Ridge Innovation Institute, University of Tennessee at Knoxville, Knoxville, TN 37996, USA.<br /><searchLink fieldCode="AU" term="%22Yuan+K%22">Yuan K</searchLink>; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. sr4@ornl.gov.<br /><searchLink fieldCode="AU" term="%22Adapa+S%22">Adapa S</searchLink>; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. sr4@ornl.gov.<br /><searchLink fieldCode="AU" term="%22Stack+AG%22">Stack AG</searchLink>; Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. sr4@ornl.gov.<br /><searchLink fieldCode="AU" term="%22Irle+S%22">Irle S</searchLink>; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. irles@ornl.gov.
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  Data: <searchLink fieldCode="JN" term="%22100888160%22">Physical chemistry chemical physics : PCCP</searchLink> [Phys Chem Chem Phys] 2026 Jan 21; Vol. 28 (3), pp. 2141-2151. <i>Date of Electronic Publication: </i>2026 Jan 21.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>100888160 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1463-9084 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214639076%22">14639076 </searchLink><i>NLM ISO Abbreviation: </i>Phys Chem Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1039/d5cp03611a
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      – Code: eng
        Text: English
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              Text: 2026 Jan 21
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