Aromaticity in heterocycles: New HOMA index parametrization

Structural Chemistry

Volumn 23, Issue 2, 2012, Pages 375-380

  Frizzo, Clarissa P ^a   Martins, Marcos A P ^a  

^a FEDERAL UNIVERSITY OF SANTA MARIA   (Brazil)

Author keywords

electron delocalization; Aromaticity; Geometry based index; Heteroatomic compounds; Heterocycles; HOMA

Indexed keywords

EID: 84862648130     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11224-011-9883-z     Document Type: Article

References (29)

1. Kruszewski J, Krygowski TM (1972) Bull Acad Pol Sci Chim 20:907
2. Kruszewski J, Krygowski TM (1972) Tetrahedron Lett 13:3839
3. Krygowski TM, Kruszewski J (1973) Bull Acad Pol Sci Chim 21:409
4. Krygowski TM, Kruszewski J (1974) Bull Acad Pol Sci Chim 22:871
5. Krygowski TM (1993) J Chem Inf Comput Sci 33:70
6. Jug K, Koester A (1990) J Am Chem Soc 112:6772
7. Jeffrey GA (1987) Proc R Soc A 414:47
8. Krygowski TM, Cyrański MK (2001) Chem Rev 101:1385 and references cited therein
9. Cyrański MK (2005) Chem Rev 105:3773 and references cited therein
10. Raczyńska ED, Kosińska W, Ośmialowski B, Gawinecki R (2005) Chem Rev 105: 3561 and references cited therein
11. Raczyńska ED (2005) Pol J Chem 79:749
12. Raczyńska ED, Ośmialowski B, Gawinecki R (2005) Pol J Chem 79:1093
13. Raczyńska ED (2005) Pol J Chem 79:1003
14. Raczyńska ED, Krygowski TM, Zachara JE, Ośmialowski B, Gawinecki R (2005) J Phys Org Chem 18:892
15. Osmialowski B, Raczyńska ED, Krygowski TM (2006) J Org Chem 71:3727
16. Raczyńska ED, Hallman M, Kolczyńska K, Stepniewski TM (2010) Symmetry 2:1485
17. Madura ID, Krygowski TM, Cyrański MK (1998) Tetrahedron 54:14913
18. Wodrich MD, Wannere CS, Mó Y, Jarowski PD, Houk KN, Schleyer PVR (2007) Chem Eur J 13:7731
19. Weinhold F (2001) Nature 411:539
20. Pophristic V, Goodman L (2001) Nature 411:565
21. Pophristic V, Goodman LJ (2002) Phys Chem A 106:1642
22. Mó Y, Wu W, Song LC, Lin MH, Zhang Q, Gao JL (2004) Angew Chem Int Ed 43:1986
23. Allen FH, Kennard O, Watson DG, Brammer L, Orpen G, Taylor R (1987) Perkin Trans 2:S1
24. Barten JA, Lork E, Röschenthaler G-V (2004) J Fluor Chem 125:1039
25. Mrozek A, Wojciechowska JK, Amiel P, Barbe J (2000) J Mol Struct 525:151
26. Mrozek A, Wojciechowska JK, Amiel P, Barbe J (2000) J Mol Struct 524:159
27. Mrozek A, Wojciechowska JK, Amiel P, Kieć-Kononowicz K (2003) J Mol Struct 397:403
28. Wojciechowska JK, Mrozek A, Czylkowski R, Tekiner-Gulbas B, Aki-Sener E, Yalçin I (2007) J Mol Struct 839:125
29. Chen Z, Wannere CS, Corminboueuf C, Puchta R, Schleyer PR (2005) Chem Rev 105:3842