Contributions from electron correlation to the relative stabilities of the tautomers of nucleic acid bases

Journal of the American Chemical Society

Volumn 110, Issue 8, 1988, Pages 2353-2358

  Kwiatkowski, Józef S ^a   Person, Willis B ^a   Bartlett, Rodney J ^b  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^b UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33845280224     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja00216a001     Document Type: Article

References (46)

1. Löwdin, P. O. Adv. Quantum Chem. 1965, 2, 213.
2. Cooper, W. G. Int. J. Quantum Chem. 1978, 14, 71.
3. Rein, R.; Shibata, M.; Garduno-Juarez, R.; Kieber-Emmons, T. In Structure and Dynamics: Nucleic Acids and Proteins; Clementi, E., Sarma, R. H., Eds.; Adenine Press: Guilderland, N.Y., 1983; p 269.
4. Kwiatkowski, J. S.; Pullman, B. Adv. Heterocycl. Chem. 1975, 18, 199.
5. Kwiatkowski, J. S.; Zielinski, T. J.; Rein, R. Adv. Quantum Chem. 1986, 18, 85.
6. Berndt, M.; Kwiatkowski, J. S. In Theoretical Chemistry of Biological Systems; Náráy-Szabó, G., Ed. (Vol. 41 of Studies in Theoretical and Physical Chemistry); Elsevier: Amsterdam, 1986; p 349.
7. For general discussion of tautomerism of heterocycles including biological important molecules, see: Katritzky, A. R.; Lagowski, J. M. Adv. Heterocycl. Chem. 196., 1, 311, 339; 1969, 2, 1.
8. Elguero, J.; Marzin, C.; Katritzky, A. R.; Linda, P. Adv. Heterocycl. Chem. 1976, Suppl. No. 1.
9. Rodwell, W. R.; Bouma, W. J.; Radom, L. Int. J. Quantum Chem. 1980, 28, 107.
10. Schlegel, H. B.; Gund, P.; Fluder, E. M. J. Am. Chem. Soc. 1982, 104, 5347.
11. Bartlett, R. J. Annu. Rev. Phys. Chem. 1981, 32, 359.
12. Bartlett, R. J.; Shavitt, I. Chem. Phys. Lett. 1977, 50, 190.
13. Bartlett, R. J.; Silver, D. M. J. Chem. Phys. 1975, 62, 3258; 1976, 64, 4578.
14. Bartlett, R. J.; Purvis, G. D. Int. J. Quantum Chem. 1978, 14, 561.
15. Bartlett, R. J.; Purvis, G. D. Ann. N. Y. Acad. Sci. 1981, 367, 62.
16. Lee, Y. S.; Kucharski, S. A.; Bartlett, R. J. J. Chem. Phys. 1984, 81, 5906.
17. Urban, M.; Noga, J.; Cole, S. J.; Bartlett, R. J. J. Chem. Phys. 1985, 83, 4041.
18. Hehre, W. J.; Radom, L.; Schleyer, P. V. R.; Pople, J. A. Ab. Initio Molecular Orbital Theory; Wiley: New York, 1986.
19. Scanlan, M. J.; Hillier, I. H. J. Am. Chem. Soc. 1984, 106, 3737.
20. Latajka, Z.; Person, W. B.; Morokuma, K. THEOCHEM 1986, 135, 253.
21. Ferenczy, G.; Harsányi, L.; Rozsondai, B.; Hargittai, I. J. Mol. Struct. 1986, 140, 71.
22. Boggs, J. E.; Niu, Z. J. Comput. Chem. 1985, 6, 46.
23. Kurland, R. J.; Wilson, E. B. J. Chem. Phys. 1955, 27, 585.
24. Costain, C. C.; Dowling, J. M. J. Chem. Phys. 1960, 32, 158.
25. Hirota, E.; Sugisaki, R.; Vielsen, C. J.; Sørensen, O. J. Mol. Spectrosc. 1974, 49, 251.
26. Kwiatkowski, J. S.; Lesyng, B.; Palmer, M. H.; Saenger, W. Z. Naturforsch. C 1982, 37, 937.
27. Palmer, M. H.; Wheeler, J. R.; Kwiatkowski, J. S.; Lesyng, B. THEOCHEM 1983, 92, 283.
28. Sygula, A.; Buda, A. THEOCHEM 1985, 121, 133.
29. Cole, S. J.; Bartlett, R. J. J. Chem. Phys. 1987, 86, 873.
30. Beak, P. Acc. Chem. Res. 1977, 10, 186.
31. Sadlej, J. Semi-Empirical Methods of Quantum Chemistry CNDO, INDO, NDDO; Polish Scientific Publishers/Ellis Horwood; Warszawa/Chichester, 1985.
32. Scanlan, M. J.; Hillier, I. H.; McDowell, A. A. J. Am. Chem. Soc. 1983, 105, 3568.
33. Zielinski, T. J. J. Comput. Chem. 1983, 4, 345.
34. Shibata, M.; Zielinski, T. J.; Rein, R. Int. J. Quantum Chem. 1980, 18, 323.
35. Beak, P.; White, J. M. J. Am. Chem. Soc. 1982, 104, 7073.
36. Szczesniak, M.; Nowak, M. J.; Szczepaniak, K. J. Mol. Struct. 1984, 115, 221.
37. For argon matrix isolation study of cytosine tautomers, see also: Radczenko, Y. D.; Plokhotnichenko, A. M.; Sheina, G. G.; Blagoi, Yu. P. Biofizika 1983, 28, 559.
38. Radczenko, E. D.; Sheina, G. G.; Smorygo, N. A.; Blagoi, Yu. P. J. Mol. Struct. 1984, 116, 387.
39. Kwiatkowski, J. S.; Person, W. B.; Szczepaniak, K.; Szczesniak, M. Acta Biochim. Polon. 1987, 34, 165.
40. Laidig, W.; Purvis, G. D.; Barlett, R. J. Int. J. Quantum Chem., Quantum Chem. Symp. 1982, 16, 561; J. Phys. Chem. 1985, 89, 2161.
41. Förner, W.; Cizek, J.; Otto, P.; Ladik, J.; Steinborn, E. O. Chem. Phys. 1985, 97, 235.
42. Forner, W.; Ladik, J.; Otto, P.; Cizek, J. Chem. Phys. 1985, 97, 251.
43. Pipek, J.; Ladik, J. Chem. Phys. 1986, 102, 445.
44. Person, W. B.; Kwiatkowski, J. S.; Bartlett, R. J. J. Mol. Struct. 1987, 157, 237.
45. Carsky, P.; Urban, M. Ab. Initio Calculations (“Lecture notes in Chemistry”, Vol. 16), Springer-Verlag: Berlin, 1980.
46. Adams, G. F.; Bartlett, R. J.; Purvis, G. D. Chem. Phys. Lett. 1982, 87, 311.