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A molecular level interpretation of the chiroptical effects observed in surface second harmonic generation from a chiral surface is presented. A Pariser, Parr and Pople molecular orbital treatment is used to calculate the hyperpolarizability of R-2,2 -dihydroxy-1,1 -binaphthyl (R-BN). The chiroptical spectra from monolayers of R-BN are calculated using various assumed molecular orientational distributions,...
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