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. Author manuscript; available in PMC: 2015 Sep 1.
Published in final edited form as: J Biomol NMR. 2015 May 21;62(3):327–340. doi: 10.1007/s10858-015-9947-2

Fig. 7.

Fig. 7

Errors introduced in the 2AP system by approximating the 5 Å to 7 Å cluster size effect on the isotropic chemical shieldings with a 6-311G**/6-31G locally dense basis approach instead of a full 6-311G** calculation. The cluster size effect can be well-estimated using modest basis set calculations.