Theoretical analysis of H/D geometric isotope effect on adenine-thymine base pair using multi-component molecular orbital method

Journal of Molecular Structure: THEOCHEM

Volumn 912, Issue 1-3, 2009, Pages 63-66

  Udagawa, Taro ^a   Tachikawa, Masanori ^a,b  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Adenine(A) thymine(T) base pair; H D isotope effect; Multi component molecular orbital

Indexed keywords

EID: 69949174407     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.02.011     Document Type: Article

References (27)

1. Pavlov Y.I., Rogozin I.B., Galkin A.P., and Aksenova A.Y. Proc. Natl. Acad. Sci. USA 99 (2002) 9954
2. Abbondanzieri E.A., Greenleaf W.J., Shaevits J.W., Landick R., and Block S.M. Nature 438 (2005) 460
3. Selinger D.W., Cheung K.J., Mei R., Johansson E.M., Richmond C.S., Blattner F.R., Lockhart D.J., and Church G.M. Nat. Biotechnol. 18 (2000) 1262
4. Richardson N.A., Wesolowski S.S., and Schaefer III H.F. J. Phys. Chem. A 107 (2003) 848
5. Li X., Cai Z., and Sevilla M.D. J. Phys. Chem. A 106 (2002) 9345
6. Asensio A., Kobko N., and Dannenberg J.J. J. Phys. Chem. A 107 (2003) 6441
7. Dong H., Hua W., and Li S. J. Phys. Chem. A 111 (2007) 2941
8. Monajjemi M., and Chahkandi B. J. Mol. Struct. (THEOCHEM) 714 (2005) 43
9. Monajjemi M., Chahkandi B., Zare K., and Amiri A. Biochemistry (Moscow) 70 (2005) 366
10. Jurecka P., Sponer J., Cerny J., and Hovza P. Phys. Chem. Chem. Phys. 8 (2006) 1985
11. McMahon M.I., Nelmes R.J., Kuhs W.F., Derwarth R., Plitz R.O., and Tun Z. Nature 348 (1990) 317
12. Tachikawa M., Mori K., Suzuki K., and Iguchi K. Int. J. Quantum Chem. 70 (1998) 491
13. Tachikawa M., Mori K., Nakai H., and Iguchi K. Chem. Phys. Lett. 290 (1998) 437
14. Tachikawa M. Chem. Phys. Lett. 360 (2002) 494
15. Udagawa T., and Tachikawa M. J. Chem. Phys. 125 (2006) 244105
16. Udagawa T., and Tachikawa M. In: Hoffman E.O. (Ed). Progress in Quantum Chemistry Research (2007), NOVA Publishers 123
17. Tachikawa M., Ishimoto T., Tokiwa H., Kasatani H., and Deguchi K. Ferroelectrics 268 (2002) 3
18. Tachikawa M. Integr. Ferroelectr. 100 (2008) 72
19. Udagawa T., Ishimoto T., Tokiwa H., Tachikawa M., and Nagashima U. J. Phys. Chem. A 110 (2006) 7279
20. Nakai H., Hoshino M., Miyamoto K., and Hyodo S. J. Chem. Phys. 122 (2005) 164101
21. Swalina C., Pak M.V., Chakraborty A., and Hammes-Schiffer S. J. Phys. Chem. A 110 (2006) 9983
22. Shigeta Y., Nagao H., Nishikawa K., and Yamaguchi K. J. Chem. Phys. 111 (1999) 6171
23. Kreibich T., and Gross E.K.U. Phys. Rev. Lett. 86 (2001) 2984
24. M.J. Frisch, G.W. Trucks, H.B. Schlegel, et al., GAUSSIAN 03, Revision B.05, Gaussian, Inc., Pittsburgh, PA, 2003.
25. Limbach H.-H., Denisov G.S., and Golubev N.S. Isot. Eff. Chem. Biol. 193 (2006)
26. Pietrzak M., Shibl M.F., Bröring M., Kühn O., and Limbach H.-H. J. Am. Chem. Soc. 129 (2007) 296
27. Ubbelohde A.R., and Gallagher K.H. Acta Crystallogr. 8 (1955) 71