Vibrational spectra of nucleic acid base
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Santamaria, R.; Charro, E.; Zacar�as, A.; Castro, M.
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Article
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1999
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John Wiley and Sons
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English
⚖ 257 KB
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The vibrational spectra of the nucleic acid bases adenine, thymine, guanine, and cytosine are calculated in the frame of density functional theory Ž . DFT . In particular we use the Kohn᎐Sham scheme with gradient corrections for exchange and correlation to determine normal modes, frequencies, and in