Electron affinities of the radicals derived from cytosine

Physical Chemistry Chemical Physics

Volumn 7, Issue 5, 2005, Pages 861-865

  Luo, Qiong ^a   Li, Ji ^a   Li, Qian Shu ^a   Kim, Sunghwan ^b   Wheeler, Steven E ^b   Xie, Yaoming ^b   Schaefer III, Henry F ^b  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADENINE; ANION; CARBON; CYTOSINE; DNA BASE; GUANINE; HYDROGEN; NITROGEN; RADICAL; THYMINE;

ARTICLE; BINDING AFFINITY; BOND DISTANCE; ELECTRON; ELECTRON AFFINITY; ELECTRONIC STRUCTURE; ISOMER; MATHEMATICAL COMPUTING; QUANTUM CHEMISTRY; THEORY;

COMPUTER SIMULATION; CYTOSINE; ELECTRONS; FREE RADICALS; MODELS, CHEMICAL;

EID: 15444365935     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b415653f     Document Type: Article

References (25)

1. E. Gajewski and M. Dizdaroglu, Biochemistry, 1990, 29, 977.
2. S. S. Wesolowski, M. L. Leininger, P. N. Pentchev and H. F. Schaefer, J. Am. Chem. Soc., 2001, 123, 4023.
3. (a) E. Sagstuend, E. O. Hole, W. H. Nelson and D. M. Close, Radiat. Res., 1996, 146, 425;
4. E. Sagstuend, E. O. Hole, W. H. Nelson and D. M. Close, Radiat. Res., 1998, 149, 120.
5. V. Periquet, A. Moreau, S. Carles, J. P. Schermann and C. Desfrancois, J. Electron Spectrosc Relat. Phenom., 2000, 141, 141.
6. S. Denifl, S. Ptasinska, M. Cingel, S. Matejcik, P. Scheier and T. D. Mark, Chem. Phys. Lett., 2003, 377, 74.
7. A. K. Chandra, M. T. Nguyen and T. Zeegers-Huyskens, J. Mol. Struct., 2000, 519, 1.
8. E. S. D. Chen, E. C. M. Chen and N. Sane, Biochem. Biophys. Res. Commun., 1998, 246, 228.
9. A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
10. A. D. Becke, J. Chem. Phys., 1993, 98, 1372.
11. A. D. Becke, Phys. Rev. A, 1988, 38, 3098.
12. C. Lee, W. Yang and R. G. Parr, Phys. Rev. B. 1988, 37, 785.
13. (a) J. P. Perdew, Phys. Rev. B, 1986, 33, 8822;
14. (b) J. P. Perdew, Phys. Rev. B, 1986, 34, 7406.
15. S. Huzinaga, J. Chem. Phys., 1965, 42, 1293.
16. T. H. Dunning, J. Chem. Phys., 1970, 53, 2823.
17. T. J. Lee and H. F. Schaefer, J. Chem. Phys., 1985, 83, 1784.
18. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN98, Gaussian, Inc., Pittsburgh, PA, 1998.
19. C. T. Aravindakumar, M. N. Schuchmann, B. S. M. Rao, J. v. Sonntag and C. v. Sonntag, Org. Biomol. Chem., 2003, 1, 401.
20. F. A. Evangelista, A. Paul and H. F. Schaefer, J. Phys. Chem. A, 2004, 108, 3565.
21. Q. S. Li, Q. Luo, Y. Xie and H. F. Schaefer, unpublished results.
22. Y. Huang and H. Kenttamaa, J. Chem. Phys., 2003, 107, 4893.
23. S. X. Tian and K. Z. Xu, Int. J. Quantum Chem., 2002, 89, 106.
24. J. C. Rienstra-Kiracofe, G. S. Tschumper, H. F. Schaefer, S. Nandi and G. B. Ellison, Chem. Rev., 2002, 102, 231.
25. L. T. M. Profeta, J. D. Larkin and H. F. Schaefer, Mol. Phys., 2003, 101, 3277.