The pseudo-π method examined for the computation of multicenter aromaticity indices

Journal of Mathematical Chemistry

Volumn 43, Issue 1, 2008, Pages 111-118

  Bultinck, Patrick ^a   Mandado, Marcos ^b   Mosquera, Ricardo ^b  

^a GHENT UNIVERSITY   (Belgium)

^b UNIVERSITY OF VIGO   (Spain)

Author keywords

Aromaticity; Delocalization index; Pseudo pi

Indexed keywords

EID: 37549005984     PISSN: 02599791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10910-006-9184-8     Document Type: Article

References (21)

1. Krygowski T.M, Cyranski M.K, Czarnocki Z., Häfelinger G., Katritzky A.R, (2000). Tetrahedron 56: 1783-1976
2. Schleyer P.v.R. (eds), (2001). Chem. Rev. 101: 1115-1566
3. Schleyer P.v.R. (eds) (2005). Chem. Rev. 105: 3433-3947
4. Bultinck P., Ponec R., Van Damme S., (2005). J. Phys. Org. Chem. 18: 706-718
5. Bultinck P., R. Ponec, A. Gallegos, S. Fias, S. Van Damme and R. Carbó-Dorca, Croat. Chem. Acta (2006, in press). Published online: DOI 10.1002/jcc.20491.
6. P. Bultinck, R. Ponec and R. Carbó-Dorca, J. Comput. Chem. (2006, in press). Published online: DOI 10.1002/jcc.20419.
7. Bultinck P., Rafat M., Ponec R., Van Gheluwe B., Carbó-Dorca R., Popelier P., (2006). J. Phys. Chem. A 110: 7642-7648
8. Ponec R., Bultinck P., Gallegos A., (2005). J. Phys. Chem. A 109: 6606-6609
9. Poater J., Fradera X., Duran M., Solà M., (2003). Chem. Eur. J. 9: 400-406
10. Poater J., Duran M., Solà M., Silvi B., (2005). Chem. Rev. 105: 3911-3947
11. P. Bultinck, S. Fias and R. Ponec, Chem. Eur. J. (2006, in press). Published online: DOI 10.1002/chem.600541.
12. Fowler P.W, Steiner E., (2002). Chem. Phys. Lett. 364: 259-266
13. London F., (1937). J. Phys. Radium 8, 397-409
14. Paoloni L., De Giambiagi M.S., Giambiagi M., (1969). Atti Soc Nat matematici Modena 100: 89-105
15. Monaco G., Viglione R.G, Zanasi R., Fowler P.W, (2006). J. Phys. Chem. A 110: 7447-7452
16. Fowler P.W, Havenith R.W.A., Jenneskens L.W, Soncini A. and Steiner E., Chem. Comm. (2001) 2386-2387
17. Hill J.G, Karadakov P.B., Cooper D.L, (2006). Mol. Phys. 104: 677-680
18. Matito E., Duran M., Sola M., (2005). J. Chem. Phys. 122: 014109
19. Portella G., Poater J., Bofill J.M, Alemany P. Solà M., (2005). J. Org. Chem. 70: 2509-2521
20. Poater J., Bofill J.M, Alemany P., Solà M., (2005). J. Phys. Chem. A 109: 10629-10632
21. Aihara J., (2006). J. Am. Chem. Soc. 128: 2873-2879