Accurate computations of the methyl isotropic hyperfine coupling constants in 2-methyl-1,4-benzosemiquinone radical intermediate

Chemical Physics Letters

Volumn 363, Issue 1-2, 2002, Pages 152-160

  Mattar, Saba M ^a   Emwas, Abdul H ^a   Stephens, Alyson D ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037009667     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(02)01136-3     Document Type: Article

References (30)

1. L. Stryer, Biochemistry, third ed., Freeman, New York, 1988.
2. R.A. Isaacson, F. Lendzian, E.C. Abresch, W. Lubitz, G. Feher, Biophys. J. 69 (1995) 311.
3. W. Lubitz, G. Feher, Appl. Magn. Reson. 17 (1999) 1.
4. M.H.B. Stowell, T.M. McPhillips, D.C. Rees, S.M. Soltis, E. Abresch, G. Feher, Science 276 (1999) 812.
5. G. Feher, R.A. Isaacson, M.Y. Okamura, W. Lubitz, in: Michel-Beyerle (Ed.), Series of Chemical Physics. vol. 42: Antennas and Reaction Centers of Photosynthetic Bacteria, Structure, Interaction and Dynamics, Springer, New York, 1985, p. 42.
6. B.A. Diner, G.T. Babcock, in: D.R. Ort, C.F. Yocum (Eds.), Oxygenic Photosynthesis: The Light Reactions, Dordrecht, 1996, p. 213.
7. P. Lehtovuori, H. Joela, J. Magn. Reson. 145 (2000) 319.
8. L.J. Berliner (Ed.), Spin Labelling, vols. I and II, Academic Press, New York, 1979.
9. L.J. Berliner (Ed.), Biological Magnetic Resonance, Plenum, New York, 1997.
10. S.M. Mattar, A.D. Stephens, Chem. Phys. Lett. 347 (2001) 189.
11. C. Adamo, V. Barone, V. Fortunelli, J. Chem. Phys. 102 (1995) 1689.
12. C. Adamo, V. Barone, Chem. Phys. Lett. 274 (1997) 242.
13. P.J. O'Malley, Chem. Phys. Lett. 285 (1998) 99.
14. A. di Matteo, C. Adamo, M. Cossi, V. Barone, P. Rey, Chem. Phys. Lett. 310 (1999) 159.
15. S.M. Mattar, A.D. Stephens, Chem. Phys. Lett. 306 (1999) 249.
16. S.M. Mattar, A.D. Stephens, A.H. Emwas, Chem. Phys. Lett. 352 (2002) 39.
17. S.M. Mattar, A.D. Stephens, J. Phys. Chem. A 104 (2000) 3718 (M.A. Jacox Festschrift).
18. M.J. Frisch et al., GAUSSIAN 98, Revision A.3, Gaussian Inc., Pittsburgh, PA, 1998.
19. V. Barone, in: D.P. Chong (Ed.), Advances in Density Functional Methods, World Scientific, Singapore, 1995.
20. S.M. Mattar, R. Sammynaiken, J. Chem. Phys. 106 (1997) 1080.
21. S.M. Mattar, R. Sammynaiken, J. Chem. Phys. 106 (1997) 1094.
22. S.M. Mattar, A.D. Stephens, Chem. Phys. Lett. 347 (2001) 189.
23. B. Venkataraman, B.G. Segal, G.K. Fraenkel, J. Chem. Phys. 30 (1959) 1006.
24. P.B. Ayscough, Electron Spin Resonance in Chemistry, Methuen, London, 1974, and references cited therein.
25. D. Niethammer, B. Kirste, H. Kurreck, J. Chem. Soc. Faraday Trans. 86 (1990) 3191.
26. N.M. Atherton, in: Electron Spin Resonance, Theory and Applications, Ellis Horwood, New York, 1973, p. 103.
27. L.A. Eriksson, F. Himo, Per E.M. Seigbahn, G.T. Babcock, J. Phys. Chem. A 101 (1997) 9496.
28. H.D. McConnell, D.B. Chestnut, J. Chem. Phys. 28 (1958) 107.
29. F. Ban, J.W. Gauld, R.J. Boyd, J. Phys. Chem. A 104 (2000) 5080.
30. S.M. Mattar, A.D. Stephens, Chem. Phys. Lett. 319 (2000) 601.