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1 article(s) from Popa, Tatiana

Surface-site reactivity in small-molecule adsorption: A theoretical study of thiol binding on multi-coordinated gold clusters

Elvis C. M. Ting,
Tatiana Popa and
Irina Paci

Beilstein J. Nanotechnol. 2016, 7, 53–61, doi:10.3762/bjnano.7.6

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Figure 1: Configurational variables sampled and cluster geometry. In (a) and (b), d is the sulfur–gold distan...

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Figure 2: The most stable binding configurations for binding sites on the model Au₂₀ cluster. The figures ind...

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Figure 3: The most stable binding configurations for binding sites on the model Au₂₀ cluster. The figures ind...

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Figure 4: The importance of dispersive corrections in non-dissociative adsorption. Site symbols are given on ...

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Full Research Paper

Published 18 Jan 2016

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