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
Description
ISSN:0948-5023
DOI:10.1007/s00894-026-06783-8