Article ID Journal Published Year Pages File Type
6877650 Journal of Molecular Graphics and Modelling 2015 8 Pages PDF
Abstract
Increasing nonlinear optical response: Density functional theory calculation shows that the radical dimers exhibit considerable enhancement of the second hyperpolarizabilities (γyyyy) with respect to the cation dimers. The enhancement is due to the lower transition energy and larger interlayer charge-transfer.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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