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- W2006392704 endingPage "14784" @default.
- W2006392704 startingPage "14774" @default.
- W2006392704 abstract "A quantum mechanical investigation on the effects of the solvent and the structure on nonlinear optical activity of a class of merocyanine compounds has been conducted. The interplay of the two effects on the first hyperpolarizability, computed at density functional theory and second-order Møller−Plesset level, has been analyzed in combination with ground state properties and geometries and excited state energies and dipoles. A critical analysis of the simplified two-level model has also been presented." @default.
- W2006392704 created "2016-06-24" @default.
- W2006392704 creator A5003731037 @default.
- W2006392704 creator A5034121276 @default.
- W2006392704 creator A5041412476 @default.
- W2006392704 creator A5053508480 @default.
- W2006392704 date "2009-09-23" @default.
- W2006392704 modified "2023-09-25" @default.
- W2006392704 title "Structure versus Solvent Effects on Nonlinear Optical Properties of Push−Pull Systems: A Quantum-Mechanical Study Based on a Polarizable Continuum Model" @default.
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