Journal of Chemical Physics
Feedback | Help | Exit
The Journal of Chemical Physics
   
 
 
 
Previous Article
Binding energies of hydrogen-bonded complexes from extrapolation with localized basis sets
By incorporating effective basis sets containing diffuse functions only in the interaction region of hydrogen-bonded complexes into the simple extrapolation scheme suitable for such basis sets, an acc...
Next Article
Reversible self-assembly of patchy particles into monodisperse icosahedral clusters
We systematically study the design of simple patchy sphere models that reversibly self-assemble into monodisperse icosahedral clusters. We find that the optimal patch width is a compromise between str...

Interaction of low-energy electrons with the pyrimidine bases and nucleosides of DNA

J. Chem. Phys. 127, 085105 (2007); doi:10.1063/1.2757617

Published 30 August 2007

You are not logged in to this journal. Log in

Carl Winstead and Vincent McKoy
A. A. Noyes Laboratory of Chemical Physics, California Institute of Technology, Pasadena, California 91125, USA

Sergio d'Almeida Sanchez
Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-970 Campinas, São Paulo, Brazil
We report computed cross sections for the elastic scattering of slow electrons by the pyrimidine bases of DNA, thymine and cytosine, and by the associated nucleosides, deoxythymidine and deoxycytidine. For the isolated bases, we carried out calculations both with and without the inclusion of polarization effects. For the nucleosides, we neglect polarization effects but estimate their influence on resonance positions by comparison with the results for the corresponding bases. Where possible, we compare our results with experiment and previous calculations. ©2007 American Institute of Physics
History: Received 29 May 2007; accepted 19 June 2007; published 30 August 2007
Permalink: http://link.aip.org/link/?JCPSA6/127/085105/1
BUY THIS ARTICLE   (US$28)
Download HTML Download Sectioned HTML Download PDF (587 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 87.14.Gg
    DNA, RNA
  • 87.15.Kg
    Biomolecular interactions; membrane-protein interactions
  • 31.15.-p
    Calculations and mathematical techniques in atomic and molecular physics excluding electron correlation calculations
  • 34.80.Gs
    Molecular excitation and ionization by electron impact
  • 34.80.Bm
    Elastic scattering of electrons by atoms and molecules
  • YEAR: 2007

RELATED DATABASES


To view database links for this article,
you need to log in.
To view database links for this article,
you need to log in.

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (58)
View in Separate Window/Tab
For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. B. Boudaïffa, P. Cloutier, D. Hunting, M. A. Huels, and L. Sanche, Science 287, 1658 (2000).
  2. B. Boudaïffa, P. Cloutier, D. Hunting, M. A. Huels, and L. Sanche, Radiat. Res. 157, 227 (2002).
  3. M. A. Huels, B. Boudaïffa, P. Cloutier, D. Hunting, and L. Sanche, J. Am. Chem. Soc. 125, 4467 (2003).
  4. F. Martin, P. D. Burrow, Z. Cai, P. Cloutier, D. Hunting, and L. Sanche, Phys. Rev. Lett. 93, 068101 (2004).
  5. R. Panajotovic, F. Martin, P. Cloutier, and L. Sanche, Radiat. Res. 165, 452 (2006).
  6. For a recent review, see L. Sanche, Eur. Phys. J. D 35, 367 (2005).
  7. M. A. Huels, I. Hahndorf, E. Illenberger, and L. Sanche, J. Chem. Phys. 108, 1309 (1998).
  8. H. Abdoul-Carime, M. A. Huels, E. Illenberger, and L. Sanche, J. Am. Chem. Soc. 123, 5354 (2001).
  9. M.-A. Hervé du Penhoat, M. A. Huels, P. Cloutier, J.-P. Jay-Gerin, and L. Sanche, J. Chem. Phys. 114, 5755 (2001).
  10. H. Abdoul-Carime, P. Cloutier, and L. Sanche, Radiat. Res. 155, 625 (2001).
  11. R. Abouaf, J. Pommier, and H. Dunet, Int. J. Mass Spectrom. 226, 397 (2003).
  12. S. Denifl, S. Ptasinska, M. Cingel, S. Matejcik, P. Scheier, and T. D. Märk, Chem. Phys. Lett. 377, 74 (2003).
  13. S. Gohlke, H. Abdoul-Carime, and E. Illenberger, Chem. Phys. Lett. 380, 595 (2003).
  14. G. Hanel, B. Gstir, S. Denifl, P. Scheier, M. Probst, B. Farizon, M. Farizon, E. Illenberger, and T. D. Märk, Phys. Rev. Lett. 90, 188104 (2003).
  15. A. M. Scheer, K. Aflatooni, G. A. Gallup, and P. D. Burrow, Phys. Rev. Lett. 92, 068102 (2004).
  16. H. Abdoul-Carime, S. Gohlke, and E. Illenberger, Phys. Rev. Lett. 92, 168103 (2004).
  17. S. Denifl, S. Ptasińska, M. Probst, J. Hrušak, P. Scheier, and T. D. Märk, J. Phys. Chem. A 108, 6562 (2004).
  18. S. Denifl, S. Ptasińska, G. Hanel, B. Gstir, M. Probst, P. Scheier, and T. D. Märk, J. Chem. Phys. 120, 6557 (2004).
  19. S. Feil, K. Gluch, S. Matt-Leubner, P. Scheier, J. Limtrakul, M. Probst, H. Deutsch, K. Becker, A. Stamatovic, and T. D. Märk, J. Phys. B 37, 3013 (2004).
  20. H. Abdoul-Carime, J. Langer, M. A. Huels, and E. Illenberger, Eur. Phys. J. D 35, 399 (2005).
  21. R. Abouaf and H. Dunet, Eur. Phys. J. D 35, 405 (2005).
  22. K. Aflatooni, A. M. Scheer, and P. D. Burrow, Chem. Phys. Lett. 408, 426 (2005).
  23. A. M. Scheer, C. Silvernail, J. A. Belot, K. Aflatooni, G. A. Gallup, and P. D. Burrow, Chem. Phys. Lett. 411, 46 (2005).
  24. S. Ptasinska, S. Denifl, V. Grill, T. D. Märk, P. Scheier, S. Gohlke, M. A. Huels, and E. Illenberger, Angew. Chem., Int. Ed. 44, 1647 (2005).
  25. S. Ptasińska, S. Denifl, B. Mróz, M. Probst, V. Grill, E. Illenberger, P. Scheier, and T. D. Märk, J. Chem. Phys. 123, 124302 (2005).
  26. S. Ptasinska, S. Denifl, P. Scheier, E. Illenberger, and T. D. Märk, Angew. Chem., Int. Ed. 44, 6941 (2005).
  27. P. D. Burrow, G. A. Gallup, A. M. Scheer, S. Denifl, S. Ptasinska, T. Märk, and P. Scheier, J. Chem. Phys. 124, 124310 (2006).
  28. S. Denifl, F. Zappa, I. Mähr, J. Lecointre, M. Probst, T. D. Märk, and P. Scheier, Phys. Rev. Lett. 97, 043201 (2006).
  29. K. Aflatooni, A. M. Scheer, and P. D. Burrow, J. Chem. Phys. 125, 054301 (2006).
  30. D. Huber, M. Beikircher, S. Denifl, F. Zappa, S. Matejcik, A. Bacher, V. Grill, T. D. Märk, and P. Scheier, J. Chem. Phys. 125, 084304 (2006).
  31. I. I. Shafranyosh, M. I. Sukhoviya, and M. I. Shafranyosh, J. Phys. B 39, 4155 (2006).
  32. H. Abdoul-Carime, S. Gohlke, E. Fischbach, J. Scheike, and E. Illenberger, Chem. Phys. Lett. 387, 267 (2004).
  33. S. Denifl, P. Candori, S. Ptasińska, P. Limão-Vieira, V. Grill, T. D. Märk, and P. Scheier, Eur. Phys. J. D 35, 391 (2005).
  34. K. Aflatooni, G. A. Gallup, and P. D. Burrow, J. Phys. Chem. A 102, 6205 (1998).
  35. P. Mo[z-dot]ejko and L. Sanche, Radiat. Environ. Biophys. 42, 201 (2003).
  36. F. A. Gianturco and R. R. Lucchese, J. Chem. Phys. 120, 7446 (2004).
  37. A. Grandi, F. A. Gianturco, and N. Sanna, Phys. Rev. Lett. 93, 048103 (2004).
  38. S. Tonzani and C. H. Greene, J. Chem. Phys. 124, 054312 (2006).
  39. P. D. Burrow, J. Chem. Phys. 122, 087105 (2005).
  40. C. Winstead and V. McKoy, J. Chem. Phys. 125, 174304 (2006).
  41. C. Winstead and V. McKoy, J. Chem. Phys. 125, 244302 (2006).
  42. C. Winstead and V. McKoy, J. Chem. Phys. 125, 074302 (2006).
  43. K. Takatsuka and V. McKoy, Phys. Rev. A 24, 2473 (1981).
  44. K. Takatsuka and V. McKoy, Phys. Rev. A 30, 1734 (1984).
  45. C. Winstead and V. McKoy, Adv. At., Mol., Opt. Phys. 36, 183 (1996).
  46. C. Winstead and V. McKoy, Comput. Phys. Commun. 128, 386 (2000).
  47. M. W. Schmidt, K. K. Baldridge, J. A. Boatz et al., J. Comput. Chem. 14, 1347 (1993).
  48. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 94, Revision D.4, Gaussian, Inc., Pittsburgh, PA, 1995.
  49. N. Foloppe and A. D. MacKerell, Jr., Biophys. J. 76, 3206 (1999).
  50. G. Schaftenaar and J. H. Noordik, J. Comput.-Aided Mol. Des. 14, 123 (2000).
  51. T. H. Dunning, Jr., J. Chem. Phys. 55, 716 (1971).
  52. T. H. Dunning, Jr. and P. J. Hay, in Methods of Electronic Structure Theory, edited by H. F. Schaefer, III (Plenum, New York, 1977), p. 1.
  53. C. W. Bauschlicher, J. Chem. Phys. 72, 880 (1980).
  54. C. Winstead and V. McKoy, Phys. Rev. A 57, 3589 (1998).
  55. T. N. Rescigno and B. I. Schneider, Phys. Rev. A 45, 2894 (1992), and references therein.
  56. C. Winstead and V. McKoy, Phys. Rev. A 41, 49 (1990).
  57. S. Tonzani and C. H. Greene, J. Chem. Phys. 122, 014111 (2005).
  58. C. Winstead and V. McKoy, Phys. Rev. Lett. 98, 113201 (2007).

CITING ARTICLES
For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.


Copyright © American Institute of Physics