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Xiu-Feng Lang, Prof. Peng-Gang Yin, Ting-Ting You, Li Jiang and Prof. Lin Guo A DFT Investigation of Surface-Enhanced Raman Scattering of Adenine and 2′-Deoxyadenosine 5′-Monophosphate on Ag20 Nanoclusters ChemPhysChem 12

Article first published online: 6 JUL 2011 | DOI: 10.1002/cphc.201100187

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Adenine–Ag20complexes in which adenine is adsorbed on the tetrahedral silver cluster through N3 (see picture) allow typical experimental surface-enhanced Raman spectra (SERS) in silver colloids to be reproduced in DFT calculations, which predict that the ring-breathing mode tends to dominate the SERS of adenine.

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