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• W1990108499 startingPage "625" @default.
• W1990108499 abstract "Using density functional theory and polarizable continuum models, we study the Raman spectra of aqueous peroxynitric acid. The calculated results indicate that the solvent effect has significant influence on the electric dipole transition moments between the ground and excited electronic state and Raman polarizabilities. The theoretical Raman spectra agree well with the experimental results. From the experimental depolarization ratio, we can conclude that peroxynitric acid is not a plane molecule. We also find that the hydrogen bond can enhance IR intensity of hydroxyl group by several times." @default.
• W1990108499 created "2016-06-24" @default.
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• W1990108499 date "2011-10-01" @default.
• W1990108499 modified "2023-09-27" @default.
• W1990108499 title "Theoretical Study on Raman Spectra of Aqueous Peroxynitric Acid" @default.
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• W1990108499 doi "https://doi.org/10.1088/1674-0068/24/05/625-630" @default.
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