Selecting the Most Suitable DFT-XC Functional for Consistent Modeling of Subnanometric Gold Clusters in Catalytic Systems.

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Bibliographic Details
Title: Selecting the Most Suitable DFT-XC Functional for Consistent Modeling of Subnanometric Gold Clusters in Catalytic Systems.
Authors: Guercio, Ludovico1 (AUTHOR), Ferrante, Francesco1 (AUTHOR) francesco.ferrante@unipa.it, Bertini, Marco1 (AUTHOR), Gueci, Laura1 (AUTHOR), Lisuzzo, Lorenzo1 (AUTHOR), Duca, Dario1 (AUTHOR)
Source: Catalysts (2073-4344). Nov2025, Vol. 15 Issue 11, p1083. 13p.
Database: Academic Search Ultimate
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ISSN:20734344
DOI:10.3390/catal15111083