Structural and energetic properties of cluster models of anatase-supported single late transition metal atoms: a density functional theory benchmark study.
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| Title: | Structural and energetic properties of cluster models of anatase-supported single late transition metal atoms: a density functional theory benchmark study. |
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| Authors: | Deraet X; Research Group of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, B-1050, Brussels, Belgium., Çilesiz U; Department of Chemistry, Boğaziçi University, Bebek 34342, Istanbul, Turkey., Aviyente V; Department of Chemistry, Boğaziçi University, Bebek 34342, Istanbul, Turkey., De Proft F; Research Group of General Chemistry (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, B-1050, Brussels, Belgium. fdeprof@vub.be. |
| Source: | Journal of molecular modeling [J Mol Model] 2024 Oct 22; Vol. 30 (11), pp. 380. Date of Electronic Publication: 2024 Oct 22. |
| 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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| ISSN: | 0948-5023 |
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| DOI: | 10.1007/s00894-024-06173-y |
