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- W2088665333 abstract "First hyperpolarisabilities (β) are calculated by means of semi-empirical molecular orbital methods for a series of organic molecules containing a π-electron donor and a π-electron acceptor separated by a saturated C–C σ bond. The π orbitals of the donor and the acceptor interact through the σ skeleton (π–σ–π through-bond coupling), giving rise to intramolecular charger transfer in the excited states. In the case of zwitterions (D−–π–C–C–π–A+) very large hyperpolarisabilities and dipole moments are obtained. These studies suggest that this structural motif may have potential applications in the development of non-linear optical materials." @default.
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- W2088665333 date "1999-01-01" @default.
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- W2088665333 title "Theoretical studies on the non-linear optical properties of some organic molecules: effect of π–σ–π through-bond coupling on the first hyperpolarisability" @default.
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- W2088665333 doi "https://doi.org/10.1016/s0166-1280(98)00242-5" @default.
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