PBE0-D3 results for ligand-protected gold clusters and corresponding cluster-assembled materials
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The below files are the source material for the published paper:Celina Sikorska, Emma Vincent, Andreas Schnepf, Nicola Gaston, Tuning the electronic structure of gold cluster-assembled materials by altering organophosphine ligands,Phys. Chem. Chem. Phys., 2024, DOI10.1039/d3cp04027e The VASP output files containing relaxed structures of isolated clusters and corresponding lattice structures of their assembles.Description of attached files has been included in the README file.Please cite it as:C. Sikorska, E. Vincent, A. Schnepf and N. Gaston, Phys Chem Chem Phys, 2024, DOI:10.1039/d3cp04027e
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创建时间：
2024-03-25
