Interpretation of cytidine proton chemical shifts and J coupling constants calculated by DFT

Journal of Molecular Structure: THEOCHEM

Volumn 767, Issue 1-3, 2006, Pages 81-85

  Fischer, J T ^a   Wehner, S G ^a   Reinscheid, U M ^a  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

Author keywords

1H chemical shift; Conformation; Cytidine; DFT; J coupling constant

Indexed keywords

EID: 33747876269     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2006.05.002     Document Type: Article

References (16)

1. Wijmenga S.S., and van Buuren B.N.M. Prog. NMR Spectrosc. 32 (1998) 287
2. Dejaegere A.P., and Case D.A. J. Phys. Chem. 102 (1998) 5280
3. Cloran F., Zhu Y., Osborn J., Carmichael I., and Serianni A.S. J. Am. Chem. Soc. 122 (2000) 6435
4. Munzarová M.L., and Sklenar V. J. Am. Chem. Soc. 125 (2003) 3649
5. Bandyopadhyay T., Wu J., Stripe W.A., Carmichael I., and Serianni A.S. J. Am. Chem. Soc. 119 (1997) 1737
6. J.T. Fischer, U.M. Reinscheid, Eur. J. Org. Chem. 9 (2006) 2074.
7. Reed A.E., Curtiss L.A., and Weinhold F. Chem. Rev. 88 (1988) 899
8. M.J. Frisch et al., Gaussian 03, Gaussian Inc., Pittsburgh, PA, 2003.
9. Becke A.D. J. Chem. Phys. 98 (1993) 5648
10. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
11. Auffinger P., and Westhof E.J. Mol. Biol. 274 (1997) 54
12. Cromsigt J.A., Hilbers C.W., and Wijmenga S.S. J. Biomol. NMR 21 (2001) 11
13. Munzarová M.L., and Sklenar V. J. Am. Chem. Soc. 124 (2002) 10666
14. Contreras R.H., Peralta J.E., Giribet C.G., Ruiz de Azúa M.C., and Facelli J.C. Ann. Rep. NMR Spectrosc. 41 (2000) 55
15. Contreras R.H., and Peralta J.E. Prog. NMR Spectrosc. 37 (2000) 321
16. Binsch G., Lambert J.B., and Roberts B.W. J. Am. Chem. Soc. 86 (1964) 5564