Structural specificity of alkoxy radical formation in crystalline carbohydrates

Physical Chemistry Chemical Physics

Volumn 15, Issue 24, 2013, Pages 9615-9619

  Aalbergsjø, Siv G ^a   Pauwels, Ewald ^b,c   De Cooman, Hendrik ^b,c   Hole, Eli O ^a   Sagstuen, Einar ^a  

^a UNIVERSITY OF OSLO   (Norway)

^b GHENT UNIVERSITY   (Belgium)

^c QCMM alliance Ghent Brussels ^*  (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84878737865     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c3cp50789k     Document Type: Article

References (39)

1. A. Adhikary D. Becker B. J. Palmer A. N. Heizer M. D. Sevilla J. Phys. Chem. B 2012 116 5900 5906
2. H. De Cooman E. Pauwels H. Vrielinck E. Sagstuen S. Van Doorslaer F. Callens M. Waroquier Phys. Chem. Chem. Phys. 2009 11 1105 1114
3. H. De Cooman G. Vanhaelewyn E. Pauwels E. Sagstuen M. Waroquier F. Callens J. Phys. Chem. B 2008 112 15045 15053
4. E. Pauwels H. De Cooman G. Vanhaelewyn E. Sagstuen F. Callens M. Waroquier J. Phys. Chem. B 2008 112 15054 15063
5. M. Tarpan E. Sagstuen E. Pauwels H. Vrielinck M. Waroquier F. Callens J. Phys. Chem. A 2008 112 3898 3905
6. M. A. Tarpan H. De Cooman E. Sagstuen M. Waroquier F. Callens Phys. Chem. Chem. Phys. 2011 13 11294 11302
7. A. Adhikary D. Becker S. Collins J. Koppen M. D. Sevilla Nucleic Acids Res. 2006 34 1501 1511
8. D. M. Close J. Phys. Chem. A 2008 112 8411 8417
9. D. M. Close, in Radiation Induced Molecular Phenomena in Nucleic Acids, ed., M. K. Shukla, and, J. Leszczynski, 2008, pp. 493-529
10. D. Becker, A. Adhikary and M. D. Sevilla, in Charged particle and photon interactions with matter: recent advances, applications, and interfaces, ed., Y. Hatano, Y. Katsumura, and, A. Mozumder, CRC Press, Boca Raton, 2010, pp. 503-541
11. D. Becker, A. Adhikary and M. D. Sevilla, in Charge Migration in DNA: Perspectives from Physics, Chemistry, and Biology, ed., T. Chakraborty, Springer-Verlag, Berlin, Heidelberg, 2007, pp. 139-175
12. W. A. Bernhard, in Radical and Radical Ion Reactivity in Nucleic Acid Chemistry, ed., M. D. Greenberg, John Wiley & Sons, New Jersey, 2009, pp. 41-68
13. W. A. Bernhard and D. M. Close, in Charged particle and photon interactions with matter chemical, physicochemical, and biological consequences with applications, ed., A. Mozumder, and, Y. Hatano, Marcel Dekker, New York, 2004, pp. 431-470
14. M. Roginskaya W. A. Bernhard R. T. Marion Y. Razskazovskiy Radiat. Res. 2005 163 85 89
15. M. Roginskaya Y. Razskazovskiy W. A. Bernhard Angew. Chem., Int. Ed. 2005 44 6210 6213
16. A. Kumar V. Pottiboyina M. D. Sevilla J. Phys. Chem. B 2012 116 9409 9416
17. P. O. Samskog A. Lund Chem. Phys. Lett. 1980 75 525 527
18. E. E. Budzinski H. C. Box J. Chem. Phys. 1985 82 3487 3490
19. E. Sagstuen and E. O. Hole, in Electron Paramagnetic Resonance: A Practitioner's Toolkit, ed., M. Brustolon, and, G. Giamello, John Wiley & Sons, Inc, Hoboken, New Jersey, 2009
20. V. G. Malkin, M. Kaupp and M. Bühl, Calculation of NMR and EPR parameters: theory and applications, Wiley-VCH, Weinheim, 2004
21. E. Pauwels H. De Cooman M. Waroquier E. O. Hole E. Sagstuen Phys. Chem. Chem. Phys. 2010 12 8733 8736
22. E. Pauwels V. Van Speybroeck M. Waroquier J. Phys. Chem. A 2006 110 6504 6513
23. E. Sagstuen M. Lindgren A. Lund Radiat. Res. 1991 128 235 242
24. E. Pauwels R. Declerck V. Van Speybroeck M. Waroquier Radiat. Res. 2008 169 8 18
25. S. Takagi G. A. Jeffrey Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 1978 34 2551 2555
26. The CP2K developers group, CP2K version 2.3.43, 2011
27. G. Lippert J. Hutter M. Parrinello Mol. Phys. 1997 92 477 487
28. J. VandeVondele J. Hutter J. Chem. Phys. 2007 127 114105
29. S. Goedecker M. Teter J. Hutter Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 1703 1710
30. C. Hartwigsen S. Goedecker J. Hutter Phys. Rev. B: Condens. Matter Mater. Phys. 1998 58 3641 3662
31. M. Krack Theor. Chem. Acc. 2005 114 145 152
32. A. D. Becke Phys. Rev. A: At., Mol., Opt. Phys. 1988 38 3098 3100
33. C. T. Lee W. T. Yang R. G. Parr Phys. Rev. B: Condens. Matter Mater. Phys. 1988 37 785 789
34. R. Elber M. Karplus Chem. Phys. Lett. 1987 139 375 380
35. G. Henkelman B. P. Uberuaga H. Jonsson J. Chem. Phys. 2000 113 9901 9904
36. G. Henkelman H. Jonsson J. Chem. Phys. 2000 113 9978 9985
37. M. Krack M. Parrinello Phys. Chem. Chem. Phys. 2000 2 2105 2112
38. G. Lippert J. Hutter M. Parrinello Theor. Chem. Acc. 1999 103 124 140
39. N. Godbout D. R. Salahub J. Andzelm E. Wimmer Can. J. Chem. 1992 70 560 571