Hydration of guanine: Electronic singlet excited states for complexes with 19 and 27 water molecules

Chemical Physics Letters

Volumn 478, Issue 4-6, 2009, Pages 254-259

  Shukla, M K ^a   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COMPUTATIONAL INVESTIGATION; CONFIGURATION INTERACTIONS; EXCITED-STATE DYNAMICS; EXCITED-STATE GEOMETRIES; GROUND STATE GEOMETRY; HYDRATED COMPLEXES; SINGLET EXCITED STATE; WATER MOLECULE;

GEOMETRY; HYDRATES; HYDRATION; MOLECULES; POSITIVE IONS;

EXCITED STATES;

EID: 68949114489     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.07.081     Document Type: Article

References (34)

1. Franklin R.E., and Gosling R.G. Acta Cryst 6 (1953) 673
2. Poltev V.I., Teplukhin A.V., and Malenkov G.G. Int. J. Quantum Chem. 42 (1992) 1499
3. Schneider B., Cohen D., and Berman H.M. Biopolymers 32 (1992) 725
4. Brandes R., Rupprecht A., and Kearns D.R. J. Biophys. 56 (1989) 683
5. Shindo H., Hiyama Y., Roy S., Cohen J.S., and Torchia D.A. Bull. Chem. Soc. Jpn. 60 (1987) 1631
6. Leszczynski J. In: Hargittai M., and Hargittai I. (Eds). Advances in Molecular Structure Research Vol. 6 (2000), JAI Press, Stamford, CT 209
7. Trygubenko S.A., et al. Phys. Chem. Chem. Phys. 4 (2002) 4192
8. Hanus M., Ryjacek F., Kabelac M., Kubar T., Bogdan T.V., Trygubenko S.A., and Hobza P. J. Am. Chem. Soc. 125 (2003) 7678
9. Shishkin O.V., Gorb L., and Leszczynski J. Int. J. Mol. Sci. 1 (2000) 17
10. Shishkin O.V., Gorb L., and Leszczynski J. J. Phys. Chem. B 104 (2000) 5357
11. Sukhanov O.S., Shishkin O.V., Gorb L., Podolyan Y., and Leszczynski J. J. Phys. Chem. B 107 (2003) 2846
12. Nachtigallova D., Hobza P., and Spirko V. J. Phys. Chem. A 112 (2008) 1854
13. Shukla M.K., and Leszczynski J. J. Biomol. Struct. Dynam. 25 (2007) 93
14. Shukla M.K., and Leszczynski J. J. Phys. Chem. B 109 (2005) 17333
15. Shukla M.K., and Leszczynski J. J. Phys. Chem. B 112 (2008) 5139
16. Foresman J.B., Head-Gordon M., Pople J.A., and Frisch M.J. J. Phys. Chem. 96 (1992) 135
17. M.J. Frisch et al., Gaussian 03, Revision B.03, Gaussian, Inc., Pittsburgh PA, 2003.
18. Molekel 4.3, P. Flükiger, H.P. Lüthi, S. Portmann, J. Weber, Swiss Center for Scientific Computing, Manno (Switzerland), 2000. www.cscs.ch/molekel.
19. Nishimura Y., Tsuji T., and Sekiya H. J. Phys. Chem. A 105 (2001) 7273
20. Kupper J., Westphal A., and Schmitt M. Chem. Phys. 263 (2001) 41
21. Crespo-Hernandez C.E., Cohen B., Hare P.M., and Kohler B. Chem. Rev. 104 (2004) 1977
22. Middleton C.T., de La Harpe K., Su C., Law Y.K., Crespo-Hernandez C.E., and Kohler B. Annu. Rev. Phys. Chem. 60 (2009) 217
23. M. Barbatti, B. Sellner, A.J.A. Aquino, H. Lischka, in: M.K. Shukla and J. Leszczynski (Eds.), Radiation Induced Molecular Phenomena in Nucleic Acids, in: J. Leszczynski (Ed.), Challenges and Advances in Computational Chemistry and Physics, vol. 5, Springer Science + Business Media B.V., 2008, p. 209.
24. M. Mons, I. Dimicoli, F. Piuzzi, in: M.K. Shukla, J. Leszczynski (Eds.), Radiation Induced Molecular Phenomena in Nucleic Acids, in: J. Leszczynski (Ed.), Challenges and Advances in Computational Chemistry and Physics, vol. 5, Springer Science + Business Media B.V., 2008, p. 343.
25. L. Serrano-Andres, M. Merchan, in: M.K. Shukla, J. Leszczynski (Eds.), Radiation Induced Molecular Phenomena in Nucleic Acids, in: J. Leszczynski (Ed.), Challenges and Advances in Computational Chemistry and Physics, vol. 5, Springer Science + Business Media B.V., 2008, p. 435.
26. L. Blancafort, M.J. Bearpark, M.A. Robb, in: M.K. Shukla, J. Leszczynski (Eds.), Radiation Induced Molecular Phenomena in Nucleic Acids, in: J. Leszczynski (Ed.), Challenges and Advances in Computational Chemistry and Physics, vol. 5, Springer Science + Business Media B.V., 2008, p. 473.
27. Perun S., Sobolewski A.L., and Domcke W. J. Am. Chem. Soc. 127 (2005) 6257
28. Canuel C., Mons M., Piuzzi F., Tardivel B., Dimicoli I., and Elhanine M. J. Chem. Phys. 122 (2005) 74316
29. Langer H., and Doltsinis N.L. Phys. Chem. Chem. Phys. 6 (2004) 2742
30. Chen H., and Li S. J. Chem. Phys. 124 (2006) 154315
31. Yamazaki S., Domcke W., and Sobolewski A. J. Phys. Chem. A 112 (2008) 11965
32. Yamazaki S., and Domcke W. J. Phys. Chem. A 112 (2008) 7090
33. Marian C.M. J. Phys. Chem. A 111 (2007) 1545
34. Serrano-Andres L., Merchan M., and Borin A.C. J. Am. Chem. Soc. 130 (2008) 2473