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Density functional theory on the structures and adsorption properties of CuxAgyAuz (x + y + z = 7, x, y, z > 0) and monometallic Cu7, Ag7, and Au7 clusters.

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Title: Density functional theory on the structures and adsorption properties of CuxAgyAuz (x + y + z = 7, x, y, z > 0) and monometallic Cu7, Ag7, and Au7 clusters.
Authors: Tian Z; School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang, Anhui, China.; Anhui Provincial Key Laboratory of Green Carbon Chemistry, Fuyang Normal University, Fuyang, Anhui, China., Song D; School of Materials Science and Engineering, Hefei University of Technology, Hefei, Anhui, China., Sun J; School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang, Anhui, China., Zhang M; School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang, Anhui, China., Song C; School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang, Anhui, China. songcf@fynu.edu.cn.; Anhui Provincial Key Laboratory of Green Carbon Chemistry, Fuyang Normal University, Fuyang, Anhui, China. songcf@fynu.edu.cn.
Source: Journal of molecular modeling [J Mol Model] 2026 Jun 04; Vol. 32 (7). Date of Electronic Publication: 2026 Jun 04.
Publication Type: Journal Article
Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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Header DbId: mdl
DbLabel: MEDLINE Ultimate
An: 42240682
AccessLevel: 2
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: Density functional theory on the structures and adsorption properties of Cu<subscript>x</subscript>Ag<subscript>y</subscript>Au<subscript>z</subscript> (x + y + z = 7, x, y, z > 0) and monometallic Cu<subscript>7</subscript>, Ag<subscript>7</subscript>, and Au<subscript>7</subscript> clusters.
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  Data: <searchLink fieldCode="AU" term="%22Tian+Z%22">Tian Z</searchLink>; School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang, Anhui, China.; Anhui Provincial Key Laboratory of Green Carbon Chemistry, Fuyang Normal University, Fuyang, Anhui, China.<br /><searchLink fieldCode="AU" term="%22Song+D%22">Song D</searchLink>; School of Materials Science and Engineering, Hefei University of Technology, Hefei, Anhui, China.<br /><searchLink fieldCode="AU" term="%22Sun+J%22">Sun J</searchLink>; School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang, Anhui, China.<br /><searchLink fieldCode="AU" term="%22Zhang+M%22">Zhang M</searchLink>; School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang, Anhui, China.<br /><searchLink fieldCode="AU" term="%22Song+C%22">Song C</searchLink>; School of Chemistry and Materials Engineering, Fuyang Normal University, Fuyang, Anhui, China. songcf@fynu.edu.cn.; Anhui Provincial Key Laboratory of Green Carbon Chemistry, Fuyang Normal University, Fuyang, Anhui, China. songcf@fynu.edu.cn.
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  Data: <searchLink fieldCode="JN" term="%229806569%22">Journal of molecular modeling</searchLink> [J Mol Model] 2026 Jun 04; Vol. 32 (7). <i>Date of Electronic Publication: </i>2026 Jun 04.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Germany <i>NLM ID: </i>9806569 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>0948-5023 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2209485023%22">09485023 </searchLink><i>NLM ISO Abbreviation: </i>J Mol Model <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.1007/s00894-026-06783-8
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      – Code: eng
        Text: English
    Titles:
      – TitleFull: Density functional theory on the structures and adsorption properties of CuxAgyAuz (x + y + z = 7, x, y, z > 0) and monometallic Cu7, Ag7, and Au7 clusters.
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          Name:
            NameFull: Tian Z
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          Name:
            NameFull: Song D
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            NameFull: Sun J
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            NameFull: Zhang M
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            NameFull: Song C
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          Dates:
            – D: 04
              M: 06
              Text: 2026 Jun 04
              Type: published
              Y: 2026
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            – Type: issn-electronic
              Value: 0948-5023
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              Value: 32
            – Type: issue
              Value: 7
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            – TitleFull: Journal of molecular modeling
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