Theoretical studies on structures and electron affinities of 5- and 6-halouracils

Chemical Research in Chinese Universities

Volumn 25, Issue 3, 2009, Pages 388-396

  Hui Ping, Wang ^a   Wen Guo, Xu ^b   Zhang, Hong Xing ^a  

^a JILIN UNIVERSITY   (China)

^b BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Charge distribution; Electron affinity; Halouracil; Vertical detachment energy; Vertical electron affinity

Indexed keywords

EID: 80051733011     PISSN: 10059040     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (42)

1. Denifl S., Matejcik S., Ptasinska S., et al, J. Chem. Phys., 2004, 120, 704.
2. Blackburn G. M, Gait M. J.(Eds.), Nucleic Acids in Chemistry and Biology, Oxford University Press, New York, 1996.
3. Morris S. M, Mutat. Res., 1993, 297, 39.
4. Jang Y. H, Sowers L. C, Cagin T., et al, J. Phys. Chem. A, 2001, 105, 274.
5. Heidelberger C, Prog. Nucleic Acid Res. Mol. Biol, 1965, 4, 1.
6. Rowe W. P., Lowy D. R., Teich N., et al, Proc. Natl. Acad. Sci. USA, 1972, 69, 1033.
7. Sternglanz H., Bugg C. E., Biochim. Biophys. Ada, 1975, 378, 1.
8. Morris S. M., Mutat. Res., 1993, 297, 39.
9. Takimoto C. H., Hoeller D. B., Strong J. M., et al, J. Biol. Chem., 1993, 268, 21438.
10. Germ J. L.; Eds.: Chabner B. A., Collins J. M., Cancer Chemotherapy: Principles & Practice, "hided., Lippincott J. B. Co., Philadelphia, PA, 1990, 180.
11. Henderson J. P., Byun J., Takeshita J., et al, J. Biol. Chem., 2003, 278, 23522.
12. Jiang Q., Blount B. C, Ames B. N., J. Biol. Chem., 2003, 278, 32834.
13. Singh U. P., Singh B. N., Ghose A. K., et al, J. Inorg. Biochem., 1991, 44, 277.
14. Matamoros M. C, Walker B. K., Van Dyke K., et al, Pharmacology, 1983, 27, 29.
15. Abdoul-Carime H, Huels M. A., Bruning F., et al., J. Chem. Phys., 2000, 113, 2517.
16. Dugal P. C, Abdoul-Carime H, Sanche L., J. Phys. Chem. B, 2000, 104, 5610.
17. Abdoul-Carime H, Dugal P. C, Sanche L., Radiat. Res., 2000, 153, 23.
18. Klyachko D. V, Huels M. A., Sanche L., Radiat. Res., 1999, 151, 177.
19. Wetmore S. D., Boyd R. J., Eriksson L. A., Chem. Phys. Lett., 2001, 343, 151.
20. Wempen I., Fox J. J., Pyrimidines, 1964, 207.
21. Denifl S., Ptasinska S., Gstir B., et al, Int. J. Mass Spectrom., 2004, 232, 99.
22. Yang Z. B., Rodgers M. T., J. Am. Chem. Soc, 2004, 126, 16217.
23. Li X. F, Sanche Le'on, Sevilla M. D., J. Phys. Chem. A, 2002, 106, 11248.
24. Wold E., Kaalhus O., Johansen E. S., et al, Int. J. Radiat. Etol, 1980, 38(6), 599.
25. Hohenberg P., Kohn W., Phys. Rev. B, 1964, 136, 864.
26. KohnW., ShamL., J. Phys. Rev. A, 1965, 140, 1133.
27. Kohn W., Becke A. D., Parr R. G., J. Phys. Chem., 1996, 100, 12974.
28. Becke A. D., Phys. Rev. A, 1988, 38, 3098.
29. Lee C, Yang W., Parr R G., Phys. Rev. B, 1993, 37, 785.
30. Becke A. D., J. Chem. Phys., 1993, 98, 1372.
31. Becke A. D., J. Chem. Phys., 1993, 98, 5648.
32. Perdew J. P., Wang Y, Phys. Rev. B, 1992, 45, 13244.
33. Frisch M. J., Trucks G. W., Schlegel H. B., et al, Gaussian 03, Revision A.I, Gaussian Inc., Pittsburgh PA, 2003.
34. Huzinaga S., J. Chem. Phys., 1965, 42, 1293.
35. Dunning T. H., J. Chem. Phys., 1970, 53, 2823.
36. Huzinaga S., Approximate Atomic 594 Wave Functions II, Department of Chemistry, University of Alberta: Edmonton, Alberta, Canada, 1971.
37. Dunning T. H, Hay P. J.; Ed: Schaefer H. F., Modem Theoretical Chemistry, Plenum, New York, 1977, 1.
38. Sevilla M. D., Besler B., Colson A. O., J. Phys. Chem., 1995, 99, 1060.
39. Desfrancois C, Abdoul-Carime H, Schermann J. P., J. Chem. Phys., 1996, 104, 7792.
40. Desfrancois C, Periquet V., Bouteiller Y, et al, J. Phys. Chem., 1998, 102, 1274.
41. Hendricks J. H, Lyapustina S. A., de Clercq H. L., et al, J. Chem. Phys., 1996, 104, 7788.
42. Schiedt J., Weinkauf R., Neumark D. M., et al, Chem. Phys., 1998, 259, 511.