Ab initio periodic modelling of the vibrational spectra of molecular crystals: the case of uracil
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/article/10.1007/s00214-017-2191-y/fulltext.html
Reference60 articles.
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3. Chin S, Scott I, Szczepaniak K, Person WB (1984) Matrix isolation studies of nucleic acid constituents. 2. Quantitative ab initio prediction of the infrared spectrum of in-plane modes of uracil. J Am Chem Soc 106:3415–3422
4. Graindourze M, Smets J, Zeegers-Huyskens T, Maes G (1990) Fourier transform-infrared spectroscopic study of uracil derivatives and their hydrogen bonded complexes with proton donors: part I. Monomer infrared absorptions of uracil and some methylated uracils in argon matrices. J Mol Struct 222:345–364
5. Rozenberg M, Shoham G, Reva I, Fausto R (2004) Low temperature Fourier transform infrared spectra and hydrogen bonding in polycrystalline uracil and thymine. Spectrochim Acta Part A 60:2323–2336
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