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- W2080884910 abstract "Ab initio 6-311G** calculations have been performed to analyse the effects of hydrogen-bond formation on the infrared and Raman spectra of acetylene. In particular, the effect of complex formation on the infrared intensities has been analysed by the use of atomic charges and charge fluxes. The most pronounced consequences of dimer formation occur in the CH leg stretching mode which exhibits a two-fold increase." @default.
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- W2080884910 date "1991-01-01" @default.
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- W2080884910 title "Ab initio vibrational spectrum and infrared intensity parameters in hydrogen-bonded systems. Acetylene" @default.
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- W2080884910 doi "https://doi.org/10.1016/0584-8539(91)80180-q" @default.
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