Physics NotePublished
Revisiting Julg's Structural Approach to Aromaticity
Myriam Segre de Giambiagi; Mario Giambiagi; Aloysio Paiva de Figueiredo
2001
Publication details
- Authors
- Myriam Segre de Giambiagi; Mario Giambiagi; Aloysio Paiva de Figueiredo
- Type
- Physics Note
- Status
- Published
- Publication date
- 2001
- Description
- Julg's classical formula for aromaticity is updated so as to involve bond indices. A simple CNDO/2 calculation is shown to account satisfactorily for heterocyclic typical rings and other miscellaneous systems. Results are compared with a multicenter MO bond index recently introduced as an aromaticity measure.
- Year
- 2001
- Number
- CBPF-NF-007/01
- Linked to a thesis
- No
- Linked to a grant
- No