Structural and energetic properties of cluster models of anatase-supported single late transition metal atoms: a density functional theory benchmark study
Year: 2024
Type: article
Source: Journal of Molecular Modeling
Institutions: Vrije Universiteit Brussel, Boğaziçi University
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Awards: Towards molecular control of electrophilic aromatic substitution reactions in homogeneous and heterogeneous environments through a combined ab initio molecular dynamics and conceptual density functional theory approach., Mobility of higher education students and staff supported by internal policy funds (KA131-HED) - Coordinator: BOGAZICI UNIVERSITESI
OpenAlex ID: W4403654880