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- W2095360800 abstract "The configuration of polyenes is studied in terms of the alternance (difference between bond lengths of alternating “single” and “double” bonds) and of the average elongations of all the bonds. A self-consistent calculation of energy allows for the determination of the stable configuration and of the vibration frequencies of the uniform modes, for alternated (cyclic) polyenes. The stability of the alternating configuration is reinforced by taking into account both exchange correlation effects and nuclear displacements, and a good agreement is obtained with the observed frequencies." @default.
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- W2095360800 date "1971-07-15" @default.
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- W2095360800 title "Planar Vibrations of Carbon Skeleton of Polyenes. II. A Hartree–Fock Molecular Orbital Calculation of the Stable Configuration and Vibrational Frequencies of Polyenes" @default.
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- W2095360800 doi "https://doi.org/10.1063/1.1676149" @default.
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