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: |
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