INVESTIGADORES
GRASSELLI Mariano
artículos
Título:
Microcomputer program based on Beierbeck-Saunders approach for the prediction of 13C NMR chemical shifts in acyclic hydrocarbons
Autor/es:
MARIANO GRASSELLI; OLIVIERI, A.C.
Revista:
ANALYTICA CHIMICA ACTA
Editorial:
ELSEVIER SCIENCE BV
Referencias:
Año: 1990 vol. 233 p. 315 - 319
ISSN:
0003-2670
Resumen:
A microcomputer program based on the Beierbeck-Saunders approach for esttmatmg t3C-NMR chemical shrfts macyclic hydrocarbons 1s described.. It is shown to be apphcable m cases of asyrnrnetnc alkanes with dtastereotoptc carbon atoms induced by chtrahty, side-chams attached to fixed nngs, and sohd-state analyses of hydrocarbons, for which rules based on conformationally-averaged solution data are unsattsfactory.
