Monday, September 16, 2013

Structures and Chiroptical Properties of the BINAS-monosubstituted Au38(SCH3)24 cluster

Nanoscale , 2013, Accepted Manuscript

DOI: 10.1039/C3NR03403H, Paper

Alfredo Tlahuice, Bertha Molina, Ariadna Sanchez-Castillo, Ignacio L Garzon, thomas buergi, Stefan Knoppe

The structure and optical properties of a set of R-1,1´-binaphthyl-2,2´-dithiol (R-BINAS) monosubstituted A-Au38(SCH3)24 clusters are studied by means of time dependent density functional theory (TD-DFT). While it was proposed earlier...

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