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Figure 10
(a) The change in RGBI values of the bond donor (ΔDX) from monomer molecule to dimer versus the RGBIs of the AX interactions. (b) An illustrative example of DX bond weakening upon formation of a DXA interaction; in this example, the RGBI value of the O—H bond decreases from 0.94 to 0.78 when an O—H⋯N hydrogen bond is formed. The correlation coefficient R2 is also given for (a).

Volume 5| Part 5| September 2018| Pages 635-646
ISSN: 2052-2525