On the Choice of Optimal Methodology for Calculation of 13C and 1H NMR Isotropic Chemical Shifts in Cagelike Systems. Case Studies of Adamantane, 2-Adamantanone, and 2, 4-Methano-2, 4-dehydroadamantane.
Draen Viki-TopiLjupco PejovPublished in: J. Chem. Inf. Comput. Sci. (2001)