DFT/B3-LYP study of the hydrogen-bonding cooperativity: Application to (2-pyridone) 2 , 2-pyridone- H2O , 2-pyridone- CH3OH and 2-pyridone- CH3OCH3

Chemical Physics Letters

Volumn 331, Issue 5-6, 2000, Pages 553-560

  Dkhissi, A ^a,b   Ramaekers, R ^a   Houben, L ^a   Adamowicz, L ^c   Maes, G ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b UNIVERSITY OF MONS   (Belgium)

^c The University of Arizona   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001639887     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)01038-1     Document Type: Article

References (31)

1. Destexhe A., Smets J., Adamowicz L., Maes G. J. Phys. Chem. 98:1994;1506.
2. Smets J., Adamowicz L., Maes G. J. Phys. Chem. 99:1995;6387.
3. Buyl F., Smets J., Maes G., Adamowicz L. J. Phys. Chem. 99:1995;14,967.
4. Smets J., Maes G., Adamowicz L. J. Phys. Chem. 100:1996;6434.
5. Smets J., Destexhe A., Adamowicz L., Maes G. J. Phys. Chem. 101:1997;6583.
6. Smets A., Destexhe A., Adamowicz L., Maes G. J. Phys. Chem. 102:1998;8157.
7. A. Dkhissi, L. Houben, J. Smets, L. Adamowicz, G. Maes, J. Phys. Chem. (in press).
8. Held A., Pratt D.W. J. Am. Chem. Soc. 112:1990;8629.
9. Held A., Champagne B.B., Pratt D.W. J. Chem. Phys. 95:1991;8732.
10. Matsuda Y., Ebata T., Mikami N. J. Chem. Phys. 110:1999;8397.
11. Müller A., Talbot F., Leutwyler S. J. Chem. Phys. 112:2000;3717.
12. Becke A.D. J. Chem. Phys. 98:1993;1372.
13. Becke A.D. J. Chem. Phys. 98:1993;5648.
14. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
15. Latajka Z., Bouteiller Y. J. Chem. Phys. 101:1994;9793.
16. Novoa J.J., Sosa C. J. Phys. Chem. 99:1995;15,837.
17. Planas M., Lee C., Novoa J.J. J. Phys. Chem. 100:1996;16,495.
18. Lundell J., Latajka Z. J. Phys. Chem. 101:1997;5004.
19. Mo O., Yanez M., Elguero J. J. Chem. Phys. 107:1997;3592.
20. Dkhissi A., Adamowicz L., Maes G. J. Phys. Chem. 104:2000;2112.
21. Dkhissi A., Adamowicz L., Maes G. Chem. Phys. Lett. 324:2000;127.
22. Chalasinski G., Szczesniak M. Chem. Rev. 94:1994;1723.
23. M.J. Frisch, et al., GAUSSIAN94, Revision B.3, Gaussian Inc., Pittsburgh, PA, 1995.
24. Field M.J., Hillier I.H. J. Chem. Soc. Perkin Trans. 2:1987;619.
25. Chou P.T., Wei C.Y., Hung F.T. J. Phys. Chem. 101:1997;9119.
26. Stewart E.L., Foley C.K., Allinger N.L., Bowen J.P. J. Am. Chem. Soc. 116:1994;7282.
27. Del Bene J.E. J. Phys. Chem. 98:1994;5902.
28. Barone V., Adamo C. J. Phys. Chem. 99:1995;15,062.
29. Dkhissi A., Alikhani M.E., Bouteiller Y. J. Mol. Struct. 416:1997;1.
30. Silvi B., Wieczorek R., Latajka Z., Alikhani M.E., Dkhissi A., Bouteiller Y. J. Chem. Phys. 111:1999;6671.
31. R. Ramaekers, G. Maes, L. Adamowicz, A. Dkhissi, J. Mol. Struct. (in press).