How many uracil tautomers there are? Density functional studies of stability ordering of tautomers

Chemical Physics

Volumn 242, Issue 2, 1999, Pages 217-225

  Tian, S X ^a   Zhang, C F ^a   Zhang, Z J ^a   Chen, X J ^a   Xu, K Z ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0033110504     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(99)00009-9     Document Type: Article

References (53)

1. R.H. Ables, P.A. Frey, W.P. Jencks, Biochemistry, Jones and Bartlett, Boston, 1992.
2. Topal M.D., Fresco J.R. Nature. 263:1986;285. 289.
3. Ruterjans H., Kaun E., Hall W.E., Limbach H.H. Nucleic Acids Res. 10:1982;7027.
4. Padva A., LeBreton P.R., Dinerstein R.J., Ridyard J.N.A. Biochem. Biophys. Res. Commun. 60:1974;1262.
5. Lauer G., Schafer W., Schweig A. Tetrahedron Lett. 45:1975;3939.
6. Padva A., O'Donnell T.J., LeBreton P.R. Chem. Phys. Lett. 41:1976;278.
7. Dougherty D., Wittel K., Meeks J., McGlynn S.P. J. Am. Chem. Soc. 98:1976;3815.
8. Nowak M.J., Szczepaniak K., Barski A., Shugar D. Z. Naturforsch C. 33:1978;876.
9. Fujii M., Tamura T., Mikami N., Ito M. Chem. Phys. Lett. 126:1986;583.
10. Tsuchiya Y., Fujii M., Ito M. J. Phys. Chem. 92:1988;1760.
11. Brady B.B., Peteanu L.A., Leavy D.H. Chem. Phys. Lett. 147:1988;538.
12. Kubota M., Kobayashi T. J. Electron Spectrosc. Relat. Phenom. 82:1996;61.
13. T. Shimanouchi, M. Tsuboi, Y. Kyogoku, in: I. Prigogine, S.A. Rice (Eds.), Advances in Chemical Physics, Wiley, New York, 1964, vol. 7, p. 435.
14. R.C. Lord, G.J. Thomas, Spectrochim. Acta A 23 (1967) 2551; Develop. Appl. Spectrsoc. 6 (1968) 179.
15. R.C. Lord, G.J. Thomas, Spectrochim. Acta A 23 (1967) 2551; Develop. Appl. Spectrsoc. 6 (1968) 179.
16. Shugar D., Szczepaniak K. Int. J. Quantum Chem. 20:1981;573.
17. Szczesniak M., Nowak M.J., Szczepaniak K., Person W.B., Shugar D. J. Am. Chem. Soc. 105:1983;5969.
18. Chin S., Scot I., Szczepaniak K., Person W.B. J. Am. Chem. Soc. 106:1984;3415.
19. Radchenko Ye.D., Scheina G.G., Smorygo N.A., Blagoi Yu.P. J. Mol. Struct. 116:1984;387.
20. Voet D., Rich A. Prog. Nucleic Acid Res. Mol. Biol. 10:1970;247.
21. Ferenczy G., Harsanyi L., Rozondai B., Hargittai I. J. Mol. Struct. 140:1986;71.
22. Norinder U.J. J. Mol. Struct. 151:1987;259.
23. Czerminski R., Lesying B., Puhorille A. Int. J. Quantum Chem. 16:1979;605.
24. Saunders M., Webb G.A., Tute M.S. J. Mol. Struct. 158:1987;69.
25. Katritzky A.R., Karelson M. J. Am. Chem. Soc. 113:1991;1561.
26. Zielinski T. Int. J. Quantum Chem. 22:1982;639.
27. Scanlan M.J., Hillier I.H. J. Am. Chem. Soc. 106:1984;3737.
28. Kwiatkowski J.S., Barlett R.J., Person W.B. J. Am. Chem. Soc. 110:1988;2353.
29. Les A., Adamowicz I. J. Phys. Chem. 93:1992;1649.
30. Gould I.R., Hillier I.H. J. Am. Chem. Soc. Perkin Trans. 2:1990;329.
31. Leszczynski J. J. Phys. Chem. 96:1992;1642.
32. Leszczynski J. Int. J. Quantum Chem. Quantum Biol. Symp. 18:1991;9.
33. Jasien P.G., Fitzgerald G. J. Chem. Phys. 93:1990;2554.
34. Estrin D.A., Paglieri L., Corongiu G. J. Phys. Chem. 98:1994;5653.
35. Monshi M., Al-Farhan K., Al-Resayes S., Ghaith A., Hasanein A.A. Spectrochimica Acta A. 53:1997;2669.
36. Johnson R.C., Power T.D., Holt J.S., Immaraporn B., Monat J.E., Sissoko A.A., Yanik M.M., Zagorodny A.V., Cybulski S.M. J. Phys. Chem. 100:1996;18875.
37. Basch H., Garmer D.R., Jasien P.G., Krauss M., Stevens W. J. Chem. Phys. 163:1989;514.
38. M.J. Frisch et al., GAUSSIAN 98W, Revision A.3. Gaussian, Inc., Pittsburgh PA, 1998.
39. Vosko S.H., Wilk L., Nusair M. Can. J. Phys. 58:1980;1200.
40. Becke A.D. Phys. Rev. A. 38:1988;3098.
41. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
42. Becke A.D. J. Chem. Phys. 98:1993;5648.
43. Æ. Frisch, M.J. Frisch, Gaussian 98 User's Reference, Gaussian, Inc., Pittsburgh, USA, 1988.
44. W.J. Hehre, L. Radom, P. von R. Schleyer, J.A. Pople, Ab initio molecular orbital theory, Wiley, New York, 1986.
45. S.X. Tian, K.Z. Xu, M.-B. Huang et al., J. Mol. Struct. (Theochem), to be submitted.
46. Boughton J.W., Pulay P. Int. J. Quantum. Chem. 47:1993;49.
47. Beak P., White J.M. J. Am. Chem. Soc. 104:1982;7073.
48. Wong M.W. Chem. Phys. Lett. 256:1996;391.
49. J. Andzelm, in: J. Labanowski, J. Andzelm (Eds.), Theory and Applications of Density Functional Approaches to Chemistry, Springer-Verlag, Berlin, 1990.
50. Schlegel H.B. Int. J. Quantum Chem. 22:1982;1041.
51. Gunnarsson O., Lundqvist B.I. Phys. Rev. B. 13:1976;4274.
52. Perdew J.P. Phys. Rev. B. 33:1986;8822.
53. Kwiatkowski J.S., Bartlett R.J., Person W.B. J. Am. Chem. Soc. 110:1988;2353.