Nota de FísicaPublicado
Definition of a Multicentral Bond Index
Mario Giambiagi; Myriam Segre de Giambiagi; K. C. Mundim
1989
Datos de la publicación
- Autores
- Mario Giambiagi; Myriam Segre de Giambiagi; K. C. Mundim
- Tipo
- Nota de Física
- Estado
- Publicado
- Fecha de publicación
- 1989
- Descripción
- The tensor character of the first-order density matrix leads to the definition of an MO multicentral bond index for closed-shell systems. It is here applied to three-center bonds. Satisfactory results are obtained for compounds involving "secondary" bonds, strong and normal hydrogen bonds; the index for the peptide bond is found to be similar to that of strong hydrogen bonds.
- Año
- 1989
- Número
- CBPF-NF-014/89
- Vínculo con tesis
- No
- Vínculo con beca
- No