Fig. 4: Atomization energies predicted from thermochemical electronegativities (x-axis) for a number of simple molecules in comparison with experimental atomization energies on y-axis.

(a) Experimental vs our, (b) experimental vs Pauling’s (c) and experimental vs Pauling’s corrected by Matcha 8. Lines indicate the ideal results, the root-mean-square deviations from which are 0.17 eV/atom for our approach, 1.21 eV/atom for Pauling’s, and 0.25 eV/atom for Matcha’s (the relative errors on atomization energies are 5%, 40, and 7%, respectively).