Statistical analysis of 13C and 15N NMR chemical shifts from GIAO/B3LYP/6-311++G** calculated absolute shieldings

The C-13 and N-15 absolute shieldings of 28 compounds have been calculated at the GIAO/B3LYP/6-311++G** level to complete a collection of data already published. This has allowed us to devise new equations relating E and a for these nuclei based on 461 points (13C) and 70(72) points (N-15). Copyright 2007 John Wiley & Sons, Ltd.