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• W2039739170 abstract "A model for calculating vibrational frequencies of Transverse Acoustical Modes (TAM) of all-trans polyenes of any length is presented. Based on the results obtained, the relevance of TAM modes in determining static vibrational polarizability and second vibrational hyperpolarizability of very long polyenes (polyacetylene) in real materials is discussed. The major role of the Effective Conjugation Coordinate (ECC) in determining the second vibrational hyperpolarizability is also presented and compared to that of the TAM modes. The results obtained point out the limitations of calculations on isolated molecules when the behaviour of real materials in the low-frequency domain is under investigation." @default.
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• W2039739170 date "2000-04-01" @default.
• W2039739170 modified "2023-10-12" @default.
• W2039739170 title "Low-frequency vibrational modes and static vibrational hyperolarizabilities of long-chain molecules: polyenes and polyacetylene" @default.
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• W2039739170 doi "https://doi.org/10.1016/s0166-1280(00)00433-4" @default.
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