DFT/TDDFT investigation on the structural and optical properties of Au13L clusters
Author:
Funder
Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s00214-020-02587-y.pdf
Reference40 articles.
1. Pykkö P (2004) Theoretical chemistry gold. Angew Chem Int 43:4412–4456
2. Xu K-M, Wen H, Liu Y-R, Gai Y-B, Zhang W-J, Huang W (2013) A density functional study of phosphorus-doped gold clusters: $$\mathrm{Au}_n\mathrm{P}^-$$. RSC Adv 3:24492–24502
3. Scwerdtfeger P (2002) Relativistic effects in properties of gold. Heteroat Chem 13:578–584
4. Shafai G, Hong S, Bertino M, Rahman TS (2009) Effect of ligands on the geometric and electronic structure of $$\mathrm{Au}_{13}$$ clusters. J Phys Chem C 113:12072–12078
5. Mollenhauer D, Gaston N (2016) Phosphine passivated gold clusters: how charge transfer affects electronic structure and stability. Phys Chem Chem Phys 18:29686–29697
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