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Vibrational spectra and molecular structure of nucleic acid bases and their complexes in low temperature matrices

✍ Scribed by Yu.P. Blagoi; E.D. Radchenko; S.G. Stepanian; G.G. Sheina


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
401 KB
Volume
219
Category
Article
ISSN
0022-2860

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Vibrational spectra of nucleic acid base
✍ Santamaria, R.; Charro, E.; ZacarοΏ½as, A.; Castro, M. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 257 KB πŸ‘ 2 views

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