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. 2015 Jun 19;20(6):11297–11316. doi: 10.3390/molecules200611297

Figure 5.

Figure 5

The correlation between the πCC → nZ* orbital–orbital interaction energy (designated as ENBO1) and the EintBSSE (this is Eint defined in section 3 and next corrected for BSSE); both values in kJ/mol.