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- W1972805903 abstract "Ab initio SCF calculations with an STO/4–31G basis set were done for two stationary points on the energy hypersurface for the acetylene hydrogen-bonded tetramer (C2H2)4: both the “cyclic” and “T/H” configurations. Harmonic vibrational frequencies and IR and Raman intensities were calculated analytically. The relative stability is discussed and comparison with the results of a recent gas-phase spectroscopic study reveals good agreement between theory and experiment." @default.
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- W1972805903 date "1991-04-01" @default.
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- W1972805903 title "Ab initio study of the stationary points on the potential energy surface for the acetylene hydrogen-bonded tetramer" @default.
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- W1972805903 doi "https://doi.org/10.1016/0166-1280(91)90056-p" @default.
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