Nonempirical ab initio calculations on DNA base pairs

Chemical Physics

Volumn 204, Issue 2-3 SPEC. ISS., 1996, Pages 365-372

  Šponer, Jiří ^a   Hobza, Pavel ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030541603     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(95)00311-8     Document Type: Article

References (30)

1. H.R. Horton, L.A. Moran, R.S. Ochs, J.D. Rawn and K.G. Scrimgeous, Principles of biochemistry (Prentice Hall, Englewood Cliffs, 1993).
2. P. Hobza and C. Sandorfy, J. Am. Chem. Soc. 109 (1987) 1302.
3. P. Hobza, J. Šponer and M. Polášek, J. Am. Chem. Soc. 117 (1995) 792.
4. I.R. Gould and P. Kollman, J. Am. Chem. Soc. 116 (1994) 2493.
5. J., Florián and J. Leszczynski, J. Biomol. Struct. Dyn. 12 (1995) 1055.
6. S.F. Boys and F. Bernardi, Mol. Phys. 19 (1970) 553.
7. F. van Duijneveldt, J.G. van Duijneveldt-van de Rijdt and J.H.C.M. van Lenthe, Chem. Rev. 94 (1994) 1873; G. Chalasinski and M.M. Szczesniak, Chem. Rev. 94 (1994) 1723.
8. F. van Duijneveldt, J.G. van Duijneveldt-van de Rijdt and J.H.C.M. van Lenthe, Chem. Rev. 94 (1994) 1873; G. Chalasinski and M.M. Szczesniak, Chem. Rev. 94 (1994) 1723.
9. Y.K. Kang and M.S. Jhon, Theoret. Chim. Acta 61 (1982) 41.
10. M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. DeFrees, J. Baker, J.J.P. Stewart and J.A. Pople, GAUSSIAN 92 (Gaussian, Inc., Pittsburgh, PA, 1992).
11. H.-J. Werner and P.J. Knowles, MOLPRO, Version 94.1., University of Sussex, UK (1994).
12. P. Hobza and J. Sauer, Theoret. Chim. Acta 61 (1982) 41.
13. H. Tatewaki and S. Huzinaga, J. Chem. Phys. 71 (1979) 4339.
14. P. Hobza and R. Zahradnik, Chem. Rev. 88 (1988) 871; P. Hobza, H.L. Selzle and E.W. Schlag, Chem. Rev. 94 (1994) 1767.
15. P. Hobza and R. Zahradnik, Chem. Rev. 88 (1988) 871; P. Hobza, H.L. Selzle and E.W. Schlag, Chem. Rev. 94 (1994) 1767.
16. L.M.J. Kroon-Batenburg and F.B. van Duijneveldt, J. Mol. Struct. 121 (1985) 185.
17. T.H. Dunning Jr., J. Chem. Phys. 90 (1989) 1007; R.A. Kendall, T.H. Dunning Jr. and R.J. Harrison, J. Chem. Phys. 96 (1992) 6796; D.E. Woon and T.H. Dunning Jr., J. Chem. Phys. 98 (1993) 1358.
18. T.H. Dunning Jr., J. Chem. Phys. 90 (1989) 1007; R.A. Kendall, T.H. Dunning Jr. and R.J. Harrison, J. Chem. Phys. 96 (1992) 6796; D.E. Woon and T.H. Dunning Jr., J. Chem. Phys. 98 (1993) 1358.
19. T.H. Dunning Jr., J. Chem. Phys. 90 (1989) 1007; R.A. Kendall, T.H. Dunning Jr. and R.J. Harrison, J. Chem. Phys. 96 (1992) 6796; D.E. Woon and T.H. Dunning Jr., J. Chem. Phys. 98 (1993) 1358.
20. V., Špirko and P. Hobza, J. Phys. Chem., in preparation.
21. H.-J. Werner, unpublished data (1994).
22. C.E. Bugg, J.M. Thomas, M. Sundaralingan and S.T. Rao, Biopolymers 10 (1971) 175.
23. J. Šponer, J. Leszczynski and P. Hobza, J. Phys. Chem., in press.
24. J. Šponer and P. Hobza, J. Phys. Chem. 98 (1994) 3161; J. Am. Chem. Soc. 116 (1994) 709.
25. J. Šponer and P. Hobza, J. Phys. Chem. 98 (1994) 3161; J. Am. Chem. Soc. 116 (1994) 709.
26. J. Šponer, R. Burcl and P. Hobza, J. Biomol. Struct. Dyn. 11 (1994) 1357.
27. J. Šponer and J. Kypr, Intern. J. Biol. Macromol. 16 (1994) 3.
28. J. Šponer and P.J. Hobza, Biomol. Struct. Dyn. 12 (1995) 671.
29. I.K. Yanson, A.B. Teplitsky and L.F. Sukhodub, Biopolymers 18 (1979) 1149.
30. M. Dey, J. Grotemeyer and E.W. Schlag, Z. Naturforsch. 49a (1994) 776.