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Study of 7-Methylguanine on pKa Values by Using Density Functional Theoretical Method

  • Hwang, Sun-Gu (Department of Nanomedical Engineering, Pusan National University) ;
  • Jang, Yun-Hee (Department of Materials Science and Engineering, Gwangju Institute of Science and Technology) ;
  • Cho, Hyun (Department of Nanosystem and Nanoprocess Engineering, Pusan National University) ;
  • Kim, Yong-Seong (Department of Science Education, Kyungnam University)
  • Published : 2010.01.20

Abstract

Keywords

References

  1. Lee, S.; Bowman, B. R.; Ueno, Y.; Wang, S.; Verdine, G. L. J. Am. Chem. Soc. 2009, 130, 11570. https://doi.org/10.1021/ja8025328
  2. Gates, K. S.; Nooner, T.; Dutta, S. Chem. Res. Toxicol. 2004, 17, 839. https://doi.org/10.1021/tx049965c
  3. Jang, Y. H.; Goddard III, W. A.; Noyes, K. T.; Sowers, L. C.; Hwang, S.; Chung, D. S. Chem. Res. Toxicol. 2002, 15, 1023. https://doi.org/10.1021/tx010146r
  4. Jang, Y. H.; Goddard III, W. A.; Noyes, K. T.; Sowers, L. C.; Hwang, S.; Chung, D. S. J. Phys. Chem. B 2003, 107, 344. https://doi.org/10.1021/jp020774x
  5. Rogstad, K. N.; Jang, Y. H.; Sowers, L. C.; Goddard III, W. A. Chem. Res. Toxicol. 2003, 16, 1455. https://doi.org/10.1021/tx034068e
  6. Hwang, S.; Jang, Y. H.; Chung, D. S. Bull. Korean Chem. Soc. 2005, 26, 585. https://doi.org/10.5012/bkcs.2005.26.4.585
  7. Joo, S. W.; Jang, Y. H.; Hwang, S. Chem. Lett. 2008, 37, 1212. https://doi.org/10.1246/cl.2008.1212
  8. Jang, Y. H.; Hwang, S.; Chung, D. S. Chem. Lett. 2007, 36, 1496. https://doi.org/10.1246/cl.2007.1496
  9. Hwang, S.; Jang, Y. H.; Cho, H.; Lee, Y.-J. Bull. Korean Chem. Soc. 2008, 29, 539. https://doi.org/10.5012/bkcs.2008.29.3.539
  10. Schoone, K.; Maes, G.; Adamowicz, L. J. Mol. Struct. 1999, 480, 505. https://doi.org/10.1016/S0022-2860(98)00731-5
  11. Topol, I. A.; Burt, S. K.; Rashin, A. A.; Erickson, J. W. J. Phys. Chem. A 2000, 104, 866. https://doi.org/10.1021/jp992691v
  12. Topol, I. A.; Tawa, G. J.; Burt, S. K.; Rashin, A. A. J. Phys. Chem. A 1997, 101, 10075. https://doi.org/10.1021/jp9723168
  13. Schrodinger. Jaguar; 5.5 ed.; Schrodinger: Portland, OR, 1991-2003.
  14. Becke, A. D. Phys. Rev. A 1988, 38, 3098. https://doi.org/10.1103/PhysRevA.38.3098
  15. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785. https://doi.org/10.1103/PhysRevB.37.785
  16. Slater, J. C. The Self-Consistent Field for Molecules and Solids; McGraw-Hill: New York, 1974.
  17. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200. https://doi.org/10.1139/p80-159
  18. Honig, B.; Nicholls, A. Science 1995, 268, 1144. https://doi.org/10.1126/science.7761829
  19. Marten, B.; Kim, K.; Cortis, C.; Friesner, R. A.; Murphy, R. B.; Ringnalda, M. N.; Sitkoff, D.; Honig, B. J. Phys. Chem. 1996, 100, 11775. https://doi.org/10.1021/jp953087x
  20. Tannor, D. J.; Marten, B.; Murphy, R.; Friesner, R. A.; Sitkoff, D.; Nicholls, A.; Ringnalda, M. N.; Goddard III, W. A.; Honig, B. J. Am. Chem. Soc. 1994, 116, 11875. https://doi.org/10.1021/ja00105a030

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