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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 14, Number 3
BKCSDE 14(3)
March 20, 1993 

A Theoretical Study on the Chemisorption Effects in SERS
Jun-Ho Choi, Hojing Kim*
With the chemisorption theory based on the charge-transfer model, we evaluate the enhancement ratios in surface enhanced Raman scattering. The extended Huckel (EH) calculation and fragment molecular orbiatal (FMO) analysis have been applied to a system composed of a pyridine molecule adsorbed on a silver cluster. The calculation shows that the enhancement ratios due to the resonant metal-to-molecule charge-transfer are assessed about 1-170.
388 - 392
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