1 June 1993 Second-order nonlinear optical properties and molecular conformation
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Optical Engineering, 32(6), (1993). doi:10.1117/12.135851
The relationship between the second-order nonlinear optical properties of a number of organic compounds and the conformations of those compounds was examined using WIZARD and MOPAC. A strong relationship was found to exist between molecular conformation and nonlinear optical response. The ratios of the calculated hyperpolarizabilities of different conformations ranged from 2.3 in the case of 4-methoxybenzaldehyde to over 240 in the case of n-hexane. This demonstrates the need to consider molecular conformation when calculating nonlinear optical effects.
James Arnold, Daniel P. Dolata, "Second-order nonlinear optical properties and molecular conformation," Optical Engineering 32(6), (1 June 1993). https://doi.org/10.1117/12.135851

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