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• W2065291235 startingPage "7607" @default.
• W2065291235 abstract "Using density functional theory and molecular dynamics simulations, we show that delocalized states extending over three bases can be directly excited in single-stranded poly(A) DNA. The results are in semiquantitative agreement with recent experimental results for the delocalization length of these states in single- and double-stranded DNA. The structures used in these molecular dynamics calculations are validated by comparing calculated circular dichroic spectra for d(A)2 and d(A)4 with experiment. These spectra, which arise from highly stacked structures, are in good agreement with experiment, suggesting that the short delocalization in ssDNA arises in spite of strong stacking." @default.
• W2065291235 created "2016-06-24" @default.
• W2065291235 creator A5010065037 @default.
• W2065291235 creator A5064735594 @default.
• W2065291235 date "2008-05-21" @default.
• W2065291235 modified "2023-09-25" @default.
• W2065291235 title "Electronic Excitations and Spectra in Single-Stranded DNA" @default.
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• W2065291235 doi "https://doi.org/10.1021/ja7103894" @default.
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