Pv. Schleyer et al., EVEN MORE RELIABLE NMR CHEMICAL-SHIFT COMPUTATIONS BY THE GIAO-MP2 METHOD, Journal of the Chemical Society, Chemical Communications, (23), 1993, pp. 1766-1768
Correlated ab initio (GIAO-MP2) chemical shift computations agree exce
llently with the newly remeasured B-11 and C-13 NMR values for the pro
blem carboranes, 1 and 2, which had given poor IGLO results.