A gradient-corrected density functional study of indole self-association through N-H π hydrogen bonding

Chemical Physics Letters

Volumn 339, Issue 3-4, 2001, Pages 269-278

  Pejov, Ljupčo ^a  

^a SS CYRIL AND METHODIUS UNIVERSITY   (Macedonia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000347691     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)00341-4     Document Type: Article

References (35)

1. Müller-Dethlefs K., Hobza P. Chem. Rev. 100:2000;143.
2. S. Scheiner, Hydrogen Bonding - A Theoretical Perspective, Oxford University Press, Oxford, 1997.
3. Hobza P., Špirko V., Selzle H.L., Schlag E.W. J. Phys. Chem. A. 102:1998;2501.
4. Hobza P., Havlas Z. Chem. Phys. Lett. 303:1999;447.
5. Hobza P., Špirko V., Havlas Z., Buchhold K., Reimann B., Barth H-D., Brutschy B. Chem. Phys. Lett. 299:1999;180.
6. Diederich F. Angew. Chem., Int. Ed. Engl. 27:1988;362.
7. Mueldorf A.V., Van Engen D., Warner J.C., Hamilton A.D. J. Am. Chem. Soc. 110:1988;6561.
8. Anelli P.L., Ashton P.R., Ballardini R., Balzani V., Delgago M., Gandolfi M.T., Goodnow T.T., Kaifer A.E., Philp D., Pietraszkiewicz M., Prodi L., Reddington M.V., Slawin A.M.Z., Spencer N., Stoddart J.F., Vincent C., Williams D.J. J. Am. Chem. Soc. 114:1992;193.
9. Fung K.H., Selzle H.L., Schlag E.W. J. Phys. Chem. 87:1983;5113.
10. Law K.S., Schauer M., Bernstein E.R. J. Chem. Phys. 81:1984;4871.
11. Börnsen K.O., Selzle H.L., Schlag E.W. J. Chem. Phys. 85:1986;1726.
12. Hobza P., Selzle H.L., Schlag E.W. J. Chem. Phys. 93:1990;5893.
13. Henson B.F., Hartland G.V., Venturo V.A., Felker P.M. J. Chem. Phys. 97:1992;2189.
14. Hobza P., Selzle H.L., Schlag E.W. J. Phys. Chem. 97:1993;3937.
15. Hobza P., Selzle H.L., Schlag E.W. J. Am. Chem. Soc. 116:1994;3500.
16. Park H., Lee S. Chem. Phys. Lett. 301:1999;487.
17. Stefov V., Pejov Lj., Šoptrajanov B. J. Mol. Struct. 555:2000;363.
18. Lautie A., Lautie M.F., Gruger A., Fakhri S.A. Spectrochim. Acta. 36A:1980;85.
19. J.M. Seminario, P. Politzer, Modern Density Functional Theory: A Tool for Chemistry, Elsevier, Amsterdam, 1995 (Chapters 1-4).
20. Becke A.D. Phys. Rev. A. 38:1988;3098.
21. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
22. Hobza P., Šponer J., Reschel T. J. Comp. Chem. 16:1995;1315.
23. Schlegel H.B. J. Comp. Chem. 3:1982;214.
24. Simons G., Parr R.G., Finlan J.M. J. Chem. Phys. 59:1973;3229.
25. Kitaura K., Morokuma K. Int. J. Quantum Chem. 10:1976;325.
26. Stevens W.J., Fink W.H. Chem. Phys. Lett. 139:1987;15.
27. Dinur U. Chem. Phys. Lett. 192:1992;399.
28. Chirlian L.E., Francl M.M. J. Comp. Chem. 8:1987;894.
29. Breneman C.M., Wiberg K.B. J. Comp. Chem. 11:1990;361.
30. Singh U.C., Kollman P.A. J. Comp. Chem. 5:1984;129.
31. M.J. Frisch, et.al., GAUSSIAN 98 (Revision A.9), Gaussian, Inc., Pittsburgh, PA, 1998.
32. E.D. Glendening, et al., NBO, Version 3.1.
33. Hanton L.R., Hunter C.A., Purvis D.H. J. Chem. Soc., Chem. Commum. 1992;1134.
34. Boys S.F., Bernardi F. Mol. Phys. 19:1970;553.
35. Curtiss L.A., Pochatko D.J., Reed A.E., Weinhold F. J. Chem. Phys. 82:1985;2679.