Theoretical study of hyperfine coupling constants of uracil, cytosine and their halogenated derivatives in triplet state

Chemical Physics

Volumn 310, Issue 1-3, 2005, Pages 1-9

  Hou, Xin Juan ^a   Nguyen, Minh Tho ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE DERIVATIVE; CHLORINE DERIVATIVE; CYTOSINE DERIVATIVE; FLUORINE DERIVATIVE; HALOGEN; RADICAL; URACIL DERIVATIVE;

ARTICLE; ATOM; CALCULATION; CALIBRATION; DENSITY; ENERGY; GEOMETRY; HALOGENATION; MOLECULAR BIOLOGY; PREDICTION; THEORETICAL STUDY;

EID: 13844272457     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.09.034     Document Type: Article

References (31)

1. E. Sztumpf-Kulikowska, D. Shugar, and J.W. Boag Photochem. Photobiol. 6 1967 41
2. E. Haynon J. Am. Chem. Soc. 91 1969 5397
3. D.W. Whillans, and H.E. Johns Photochem. Photobiol. 9 1969 323
4. D.W. Whillans, M.A. Herbert, J.W. Hunt, and H.E. Johns Biochem. Biophys. 36 1969 912
5. D.W. Whillans, and H.E. Johns J. Am. Chem. Soc. 93 1971 1358
6. P.D. Wood, and R.W. Redmond J. Am. Chem. Soc. 118 1996 1358
7. R. Abouaf, J. Pommier, and H. Dunet Chem. Phys. Lett. 381 2003 486
8. S.K. Srivastava, and P.C. Mishra Int. J. Quant. Chem. 18 1980 827
9. J.D. Petke, G.M. Maggiora, and R.E. Christoffersen J. Am. Chem. Soc. 112 1990 5452
10. J. Phys. Chem. 96 1992 6992
11. C.M. Marian, F. Schneider, M. Kleinschmidt, and J. Tatchen Eur. Phys. J. D 20 2003 357
12. J.A. Martenson, S.R. Lipsitz, H. Wagner, E.H. Kaplan, L.A. Otteman, L.M. Schuster, E.G. Mansour, M.S. Talamonti, and A.B. Benson III Int. J. Rad. Onc. Biol. Phys. 35 1996 745
13. G.M. Blackburn, and M.J. Gait Nucleic Acids in Chemistry and Biology 1996 Oxford University Press New York
14. S.D. Wetmore, R.J. Royd, and L.A. Eriksson Chem. Phys. Lett. 343 2001 151
15. X. Li, L. Sanche, and M.D. Sevilla J. Phys. Chem. A 106 2002 11248
16. X. Li, M.D. Sevilla, and L. Sanche J. Am. Chem. Soc. 125 2003 8916
17. M.T. Nguyen, R. Zhang, P.C. Nam, and A. Ceulemans J. Phys. Chem. A 108 2004 6554
18. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, 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, C. Gonzalez, and J.A. Pople Gaussian 03 Revision A.1 2003 Gaussian Inc. Pittsburgh, PA
19. M.K. Shukla, and P.C. Mishra Chem. Phys. 240 1999 319
20. M.K. Shukla, A. Kumar, and P.C. Mishra J. Mol. Struct. (Theochem.) 535 2001 269
21. M.K. Shukla, and J. Leszczynski J. Phys. Chem. A 106 2002 8642
22. S. Naumov, A. Barthel, J. Reinhold, F. Dietz, J. Geimer, and D. Beckert Phys. Chem. Chem. Phys. 2 2000 4207
23. R. Abouaf, J. Pommier, H. Dunet, P. Quan, P.C. Nam, M.T. Nguyen, J. Chem. Phys. (2004) in press
24. M.T. Nguyen, S. Creve, and L.G. Vanquickenborne J. Phys. Chem. A 101 1997 8174
25. M.T. Nguyen, S. Creve, L.A. Eriksson, and L.G. Vanquickenborne Mol. Phys. 91 1997 537
26. A. Di Matleo, M.D. Valentin, G. Giacometti, and V. Barone Chem. Phys. Lett. 335 2001 427
27. A.R. Jaszewski, J. Jezierska, and A. Jezierski Chem. Phys. Lett. 335 2001 427
28. H. Zehner, W. Flossmanm, E. Westhof, and A. Müller Mol. Phys. 32 1976 869
29. F. Turec̀ek, and C. Yao J. Phys. Chem. A 107 2003 9221
30. A. Zoleo, A.L. Maniero, M. Prato, M.G. Severin, L.C. Brunel, K. Kordatos, and M. Brustolon J. Phys. Chem. 104 2000 9853
31. N.M. Atherton Principles of Electron Spin Resonance 1993 Ellis Horwood PTR Prentice Hall New York