Ab initio study of the nitrogen lone-pair proximity effect on a methyl C-H bond in 2-methylpyridine
Ab initio optimized geometries for three different methyl conformations of 2-methylpyridine were analyzed in order to study the nitrogen lone-pair proximity effect on a methyl C-H bond. Calculations were carried out using three different basis sets in order to determine how far the description oftha...
Autores principales: | Tufró, M.F., Contreras, R.H., Facelli, J.C. |
---|---|
Formato: | JOUR |
Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v254_nC_p271_Tufro |
Aporte de: |
Ejemplares similares
-
Ab initio study of the nitrogen lone-pair proximity effect on a methyl C-H bond in 2-methylpyridine
por: Tufró, M.F
Publicado: (1992) -
Ab initio study of the nitrogen lone-pair proximity effect on a methyl C-H bond in 2-methylpyridine
por: Tufró, María Felicitas, et al.
Publicado: (1992) -
Proximity effects on the nuclear magnetic shielding tensor. Part 1. An ab initio study of 17O and 19F chemical shifts in the proximity of a methyl group
por: Facelli, J.C., et al. -
Proximity effects on the nuclear magnetic shielding tensor. Part 1. An ab initio study of 17O and 19F chemical shifts in the proximity of a methyl group
por: Facelli, Julio César, et al.
Publicado: (1993) -
Proximity effects on the nuclear magnetic shielding tensor. Part 1. An ab initio study of 17O and 19F chemical shifts in the proximity of a methyl group
por: Facelli, J.C
Publicado: (1993)