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. 2017 Nov 9;23(12):338. doi: 10.1007/s00894-017-3496-4

Fig. 1.

Fig. 1

Interaction energy curves created on the basis of data from Sx66 data set [52, 53] for both stacked (a) and hydrogen bonded (b) pyridine dimer systems. Distance scaling factors are the factors used for scaling the closest intermolecular distance starting from the equilibrium geometries [52, 53]. The curves were created using splicing interpolation. CBS stands for complete basis set extrapolation