Electronβmolecular-vibration coupling in
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N.O. Lipari; C.B. Duke; R. Bozio; A. Girlando; C. Pecile; A. Padva
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Article
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1976
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Elsevier Science
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English
β 508 KB
The linear coupling constants desLrlbing the interaction of the one-electron molecular orbitals with the molecular vlbrations in TCNQ are caiculatcd using a semiempirlcal spectroscopically parametcrtzcd CNDO molecular orbital model. The cartcsian displacements for the normal mode of vibrations are c