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- W2022971261 abstract "The calculated values of the vector average of beta (-2 omega , omega , omega ), beta -vec, for two pyridinium alpha -cyano-4-styryldicyanomethanides, are shown to be dominated by a diagonal contribution from the first excited (intramolecular charge transfer) electronic state. However, there are non-negligible off-diagonal contributions from an interaction between the first and third excited electronic states. In all cases, by far the most dominant component of beta -vec is beta xxx. The values of beta X and beta xxx for the zwitterionic and quinonoidal forms of both the 2-pyridinium and 4-pyridinium compounds are large and negative in the pre-resonant region due to the fact that the intramolecular charge-transfer transition is accompanied by a large and negative change in molecular electric dipole moment in the x (long-axis) direction." @default.
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- W2022971261 date "1990-02-14" @default.
- W2022971261 modified "2023-09-23" @default.
- W2022971261 title "New photochromic and electro-optically active derivatives of TCNQ: calculated SHG parameters of model zwitterionic and quinonoidal structures" @default.
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- W2022971261 doi "https://doi.org/10.1088/0022-3727/23/2/018" @default.
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